USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 690 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+ -124:sc= 0.0615 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 0.698 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 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.23 X(o=-2.2,f=-2) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0923 USER MOD Single : A 42 SER OG : rot 46:sc= 0.144 USER MOD Single : A 57 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot 30:sc= -2.01 USER MOD Single : A 76 CYS SG : rot 50:sc= -1.88 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 37:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.383 8.334 -4.141 1.00 0.00 N ATOM 2 CA GLY A 1 29.247 7.437 -2.960 1.00 0.00 C ATOM 3 C GLY A 1 28.025 6.544 -3.047 1.00 0.00 C ATOM 4 O GLY A 1 27.449 6.373 -4.120 1.00 0.00 O ATOM 0 H1 GLY A 1 30.314 8.189 -4.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.635 8.116 -4.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.295 9.325 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.140 6.818 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.188 8.041 -2.054 1.00 0.00 H new ATOM 10 N SER A 2 27.629 5.975 -1.913 1.00 0.00 N ATOM 11 CA SER A 2 26.467 5.095 -1.865 1.00 0.00 C ATOM 12 C SER A 2 25.266 5.814 -1.258 1.00 0.00 C ATOM 13 O SER A 2 25.412 6.632 -0.349 1.00 0.00 O ATOM 14 CB SER A 2 26.789 3.835 -1.056 1.00 0.00 C ATOM 15 OG SER A 2 26.860 2.696 -1.895 1.00 0.00 O ATOM 0 H SER A 2 28.095 6.107 -1.016 1.00 0.00 H new ATOM 0 HA SER A 2 26.216 4.807 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.737 3.966 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.024 3.683 -0.294 1.00 0.00 H new ATOM 0 HG SER A 2 27.068 1.905 -1.356 1.00 0.00 H new ATOM 21 N SER A 3 24.078 5.503 -1.767 1.00 0.00 N ATOM 22 CA SER A 3 22.851 6.119 -1.275 1.00 0.00 C ATOM 23 C SER A 3 21.641 5.244 -1.587 1.00 0.00 C ATOM 24 O SER A 3 21.354 4.955 -2.748 1.00 0.00 O ATOM 25 CB SER A 3 22.667 7.504 -1.897 1.00 0.00 C ATOM 26 OG SER A 3 23.624 8.421 -1.394 1.00 0.00 O ATOM 0 H SER A 3 23.939 4.829 -2.519 1.00 0.00 H new ATOM 0 HA SER A 3 22.933 6.222 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.760 7.435 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.662 7.870 -1.686 1.00 0.00 H new ATOM 0 HG SER A 3 24.281 7.941 -0.848 1.00 0.00 H new ATOM 32 N GLY A 4 20.934 4.827 -0.542 1.00 0.00 N ATOM 33 CA GLY A 4 19.763 3.990 -0.726 1.00 0.00 C ATOM 34 C GLY A 4 19.544 3.036 0.434 1.00 0.00 C ATOM 35 O GLY A 4 20.474 2.733 1.180 1.00 0.00 O ATOM 0 H GLY A 4 21.151 5.054 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.883 4.622 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.870 3.418 -1.648 1.00 0.00 H new ATOM 39 N SER A 5 18.311 2.565 0.583 1.00 0.00 N ATOM 40 CA SER A 5 17.972 1.641 1.659 1.00 0.00 C ATOM 41 C SER A 5 16.565 1.082 1.474 1.00 0.00 C ATOM 42 O SER A 5 16.358 -0.131 1.514 1.00 0.00 O ATOM 43 CB SER A 5 18.080 2.341 3.015 1.00 0.00 C ATOM 44 OG SER A 5 17.796 1.447 4.076 1.00 0.00 O ATOM 0 H SER A 5 17.530 2.807 -0.027 1.00 0.00 H new ATOM 0 HA SER A 5 18.680 0.813 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.083 2.749 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.388 3.182 3.049 1.00 0.00 H new ATOM 0 HG SER A 5 17.874 1.919 4.931 1.00 0.00 H new ATOM 50 N SER A 6 15.601 1.975 1.271 1.00 0.00 N ATOM 51 CA SER A 6 14.213 1.571 1.079 1.00 0.00 C ATOM 52 C SER A 6 13.693 0.816 2.298 1.00 0.00 C ATOM 53 O SER A 6 14.466 0.407 3.164 1.00 0.00 O ATOM 54 CB SER A 6 14.082 0.698 -0.170 1.00 0.00 C ATOM 55 OG SER A 6 14.053 1.490 -1.345 1.00 0.00 O ATOM 0 H SER A 6 15.756 2.983 1.235 1.00 0.00 H new ATOM 0 HA SER A 6 13.613 2.472 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.918 -0.000 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.172 0.102 -0.107 1.00 0.00 H new ATOM 0 HG SER A 6 13.971 0.908 -2.130 1.00 0.00 H new ATOM 61 N GLY A 7 12.377 0.634 2.358 1.00 0.00 N ATOM 62 CA GLY A 7 11.775 -0.071 3.474 1.00 0.00 C ATOM 63 C GLY A 7 10.833 0.806 4.274 1.00 0.00 C ATOM 64 O GLY A 7 11.272 1.657 5.048 1.00 0.00 O ATOM 0 H GLY A 7 11.717 0.963 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.230 -0.938 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.561 -0.447 4.129 1.00 0.00 H new ATOM 68 N ILE A 8 9.534 0.600 4.087 1.00 0.00 N ATOM 69 CA ILE A 8 8.526 1.380 4.797 1.00 0.00 C ATOM 70 C ILE A 8 7.512 0.469 5.483 1.00 0.00 C ATOM 71 O ILE A 8 7.075 -0.530 4.913 1.00 0.00 O ATOM 72 CB ILE A 8 7.781 2.335 3.846 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.779 3.135 3.006 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.875 3.269 4.635 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.171 3.734 1.756 1.00 0.00 C ATOM 0 H ILE A 8 9.154 -0.100 3.450 1.00 0.00 H new ATOM 0 HA ILE A 8 9.052 1.968 5.549 1.00 0.00 H new ATOM 0 HB ILE A 8 7.161 1.743 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.197 3.935 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.607 2.485 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.356 3.938 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.145 2.682 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.475 3.857 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.935 4.287 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.778 2.937 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.362 4.410 2.033 1.00 0.00 H new ATOM 87 N ASP A 9 7.142 0.822 6.711 1.00 0.00 N ATOM 88 CA ASP A 9 6.181 0.036 7.475 1.00 0.00 C ATOM 89 C ASP A 9 4.962 0.876 7.844 1.00 0.00 C ATOM 90 O ASP A 9 4.878 2.053 7.495 1.00 0.00 O ATOM 91 CB ASP A 9 6.835 -0.518 8.742 1.00 0.00 C ATOM 92 CG ASP A 9 7.940 -1.509 8.437 1.00 0.00 C ATOM 93 OD1 ASP A 9 9.073 -1.066 8.154 1.00 0.00 O ATOM 94 OD2 ASP A 9 7.673 -2.728 8.479 1.00 0.00 O ATOM 0 H ASP A 9 7.494 1.647 7.197 1.00 0.00 H new ATOM 0 HA ASP A 9 5.852 -0.795 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.242 0.306 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.076 -1.002 9.357 1.00 0.00 H new ATOM 99 N VAL A 10 4.019 0.263 8.552 1.00 0.00 N ATOM 100 CA VAL A 10 2.805 0.953 8.969 1.00 0.00 C ATOM 101 C VAL A 10 3.119 2.049 9.982 1.00 0.00 C ATOM 102 O VAL A 10 3.921 1.853 10.895 1.00 0.00 O ATOM 103 CB VAL A 10 1.785 -0.025 9.584 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.477 0.687 9.897 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.547 -1.203 8.651 1.00 0.00 C ATOM 0 H VAL A 10 4.073 -0.711 8.849 1.00 0.00 H new ATOM 0 HA VAL A 10 2.371 1.401 8.075 1.00 0.00 H new ATOM 0 HB VAL A 10 2.196 -0.406 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.229 -0.022 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.663 1.494 10.606 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.059 1.100 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.824 -1.883 9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.160 -0.840 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.486 -1.730 8.484 1.00 0.00 H new ATOM 115 N GLY A 11 2.482 3.202 9.813 1.00 0.00 N ATOM 116 CA GLY A 11 2.706 4.313 10.718 1.00 0.00 C ATOM 117 C GLY A 11 3.971 5.081 10.388 1.00 0.00 C ATOM 118 O GLY A 11 4.770 5.384 11.275 1.00 0.00 O ATOM 0 H GLY A 11 1.814 3.387 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.852 4.989 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.767 3.939 11.740 1.00 0.00 H new ATOM 122 N CYS A 12 4.155 5.396 9.110 1.00 0.00 N ATOM 123 CA CYS A 12 5.332 6.132 8.668 1.00 0.00 C ATOM 124 C CYS A 12 4.966 7.152 7.590 1.00 0.00 C ATOM 125 O CYS A 12 4.138 6.877 6.722 1.00 0.00 O ATOM 126 CB CYS A 12 6.394 5.165 8.137 1.00 0.00 C ATOM 127 SG CYS A 12 7.861 5.033 9.184 1.00 0.00 S ATOM 0 H CYS A 12 3.504 5.153 8.363 1.00 0.00 H new ATOM 0 HA CYS A 12 5.737 6.670 9.525 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.948 4.176 8.029 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.699 5.488 7.142 1.00 0.00 H new ATOM 0 HG CYS A 12 8.698 4.192 8.654 1.00 0.00 H new ATOM 133 N PRO A 13 5.580 8.348 7.632 1.00 0.00 N ATOM 134 CA PRO A 13 5.313 9.406 6.655 1.00 0.00 C ATOM 135 C PRO A 13 5.993 9.143 5.315 1.00 0.00 C ATOM 136 O PRO A 13 7.220 9.091 5.231 1.00 0.00 O ATOM 137 CB PRO A 13 5.904 10.647 7.320 1.00 0.00 C ATOM 138 CG PRO A 13 7.015 10.127 8.163 1.00 0.00 C ATOM 139 CD PRO A 13 6.582 8.763 8.634 1.00 0.00 C ATOM 0 HA PRO A 13 4.252 9.492 6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.268 11.359 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.159 11.167 7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.941 10.066 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.205 10.789 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.421 8.068 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.154 8.803 9.636 1.00 0.00 H new ATOM 147 N VAL A 14 5.189 8.981 4.270 1.00 0.00 N ATOM 148 CA VAL A 14 5.714 8.724 2.934 1.00 0.00 C ATOM 149 C VAL A 14 4.860 9.402 1.868 1.00 0.00 C ATOM 150 O VAL A 14 3.632 9.401 1.949 1.00 0.00 O ATOM 151 CB VAL A 14 5.782 7.216 2.635 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.949 6.576 3.371 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.471 6.538 3.007 1.00 0.00 C ATOM 0 H VAL A 14 4.171 9.023 4.322 1.00 0.00 H new ATOM 0 HA VAL A 14 6.722 9.137 2.908 1.00 0.00 H new ATOM 0 HB VAL A 14 5.942 7.084 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.980 5.510 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.881 7.042 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.824 6.717 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.538 5.472 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.277 6.679 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.658 6.977 2.429 1.00 0.00 H new ATOM 163 N LYS A 15 5.520 9.981 0.870 1.00 0.00 N ATOM 164 CA LYS A 15 4.822 10.664 -0.213 1.00 0.00 C ATOM 165 C LYS A 15 4.457 9.688 -1.327 1.00 0.00 C ATOM 166 O LYS A 15 5.232 8.794 -1.663 1.00 0.00 O ATOM 167 CB LYS A 15 5.688 11.794 -0.772 1.00 0.00 C ATOM 168 CG LYS A 15 6.020 12.868 0.250 1.00 0.00 C ATOM 169 CD LYS A 15 6.931 13.933 -0.339 1.00 0.00 C ATOM 170 CE LYS A 15 6.987 15.169 0.544 1.00 0.00 C ATOM 171 NZ LYS A 15 7.359 16.388 -0.227 1.00 0.00 N ATOM 0 H LYS A 15 6.537 9.991 0.789 1.00 0.00 H new ATOM 0 HA LYS A 15 3.902 11.086 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.616 11.372 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.172 12.253 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.099 13.331 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.502 12.412 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.935 13.527 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.575 14.209 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.017 15.321 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.710 15.011 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.386 17.208 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.296 16.254 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.655 16.554 -0.974 1.00 0.00 H new ATOM 185 N VAL A 16 3.268 9.868 -1.896 1.00 0.00 N ATOM 186 CA VAL A 16 2.797 9.005 -2.972 1.00 0.00 C ATOM 187 C VAL A 16 2.502 9.811 -4.233 1.00 0.00 C ATOM 188 O VAL A 16 1.966 10.918 -4.163 1.00 0.00 O ATOM 189 CB VAL A 16 1.527 8.235 -2.561 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.179 7.184 -3.603 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.708 7.601 -1.190 1.00 0.00 C ATOM 0 H VAL A 16 2.614 10.604 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 16 3.595 8.291 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 16 0.698 8.941 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.280 6.651 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.003 7.668 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.004 6.479 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.801 7.061 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.549 6.908 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.904 8.379 -0.452 1.00 0.00 H new ATOM 201 N GLN A 17 2.855 9.250 -5.384 1.00 0.00 N ATOM 202 CA GLN A 17 2.628 9.917 -6.660 1.00 0.00 C ATOM 203 C GLN A 17 1.354 9.404 -7.324 1.00 0.00 C ATOM 204 O GLN A 17 1.297 8.263 -7.783 1.00 0.00 O ATOM 205 CB GLN A 17 3.822 9.702 -7.592 1.00 0.00 C ATOM 206 CG GLN A 17 4.023 10.827 -8.594 1.00 0.00 C ATOM 207 CD GLN A 17 5.485 11.176 -8.795 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.310 10.305 -9.071 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.812 12.455 -8.659 1.00 0.00 N ATOM 0 H GLN A 17 3.299 8.335 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 17 2.513 10.984 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.726 9.595 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.686 8.765 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.588 10.538 -9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.486 11.712 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.095 13.143 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.780 12.750 -8.784 1.00 0.00 H new ATOM 218 N LEU A 18 0.335 10.256 -7.373 1.00 0.00 N ATOM 219 CA LEU A 18 -0.939 9.889 -7.982 1.00 0.00 C ATOM 220 C LEU A 18 -0.904 10.109 -9.490 1.00 0.00 C ATOM 221 O LEU A 18 -1.107 9.177 -10.269 1.00 0.00 O ATOM 222 CB LEU A 18 -2.077 10.704 -7.363 1.00 0.00 C ATOM 223 CG LEU A 18 -2.675 10.115 -6.085 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.774 11.017 -5.545 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.212 8.716 -6.347 1.00 0.00 C ATOM 0 H LEU A 18 0.366 11.204 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.113 8.830 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.709 11.706 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.871 10.810 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.888 10.048 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.188 10.582 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.360 12.000 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.563 11.116 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.634 8.310 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.986 8.761 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.401 8.073 -6.688 1.00 0.00 H new ATOM 237 N ARG A 19 -0.643 11.347 -9.896 1.00 0.00 N ATOM 238 CA ARG A 19 -0.580 11.692 -11.312 1.00 0.00 C ATOM 239 C ARG A 19 0.647 11.066 -11.969 1.00 0.00 C ATOM 240 O ARG A 19 1.379 10.302 -11.341 1.00 0.00 O ATOM 241 CB ARG A 19 -0.552 13.212 -11.486 1.00 0.00 C ATOM 242 CG ARG A 19 -1.768 13.762 -12.215 1.00 0.00 C ATOM 243 CD ARG A 19 -2.454 14.858 -11.414 1.00 0.00 C ATOM 244 NE ARG A 19 -3.633 14.363 -10.706 1.00 0.00 N ATOM 245 CZ ARG A 19 -4.588 15.151 -10.215 1.00 0.00 C ATOM 246 NH1 ARG A 19 -4.506 16.468 -10.350 1.00 0.00 N ATOM 247 NH2 ARG A 19 -5.627 14.618 -9.585 1.00 0.00 N ATOM 0 H ARG A 19 -0.471 12.129 -9.264 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.471 11.296 -11.800 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.484 13.681 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.348 13.490 -12.035 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.464 14.156 -13.185 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.474 12.954 -12.406 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.749 15.277 -10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.746 15.667 -12.083 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.730 13.355 -10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.708 16.883 -10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.241 17.066 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.694 13.606 -9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.359 15.220 -9.209 1.00 0.00 H new ATOM 261 N SER A 20 0.865 11.397 -13.238 1.00 0.00 N ATOM 262 CA SER A 20 2.003 10.869 -13.980 1.00 0.00 C ATOM 263 C SER A 20 3.258 11.693 -13.710 1.00 0.00 C ATOM 264 O SER A 20 3.756 12.394 -14.592 1.00 0.00 O ATOM 265 CB SER A 20 1.697 10.855 -15.481 1.00 0.00 C ATOM 266 OG SER A 20 0.983 12.016 -15.866 1.00 0.00 O ATOM 0 H SER A 20 0.268 12.028 -13.773 1.00 0.00 H new ATOM 0 HA SER A 20 2.183 9.848 -13.644 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.628 10.793 -16.045 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.115 9.967 -15.728 1.00 0.00 H new ATOM 0 HG SER A 20 0.801 11.984 -16.828 1.00 0.00 H new ATOM 272 N GLY A 21 3.765 11.604 -12.485 1.00 0.00 N ATOM 273 CA GLY A 21 4.957 12.345 -12.121 1.00 0.00 C ATOM 274 C GLY A 21 4.714 13.840 -12.054 1.00 0.00 C ATOM 275 O GLY A 21 5.508 14.629 -12.567 1.00 0.00 O ATOM 0 H GLY A 21 3.371 11.032 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.317 11.995 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.744 12.140 -12.847 1.00 0.00 H new ATOM 279 N GLU A 22 3.612 14.230 -11.421 1.00 0.00 N ATOM 280 CA GLU A 22 3.266 15.641 -11.288 1.00 0.00 C ATOM 281 C GLU A 22 3.658 16.170 -9.914 1.00 0.00 C ATOM 282 O GLU A 22 4.226 17.256 -9.793 1.00 0.00 O ATOM 283 CB GLU A 22 1.766 15.843 -11.517 1.00 0.00 C ATOM 284 CG GLU A 22 1.405 17.245 -11.980 1.00 0.00 C ATOM 285 CD GLU A 22 0.379 17.243 -13.096 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.601 16.474 -13.001 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.555 18.010 -14.066 1.00 0.00 O ATOM 0 H GLU A 22 2.944 13.589 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 22 3.820 16.198 -12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.420 15.124 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.233 15.627 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.017 17.814 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.306 17.755 -12.321 1.00 0.00 H new ATOM 294 N GLU A 23 3.352 15.395 -8.878 1.00 0.00 N ATOM 295 CA GLU A 23 3.673 15.785 -7.510 1.00 0.00 C ATOM 296 C GLU A 23 3.289 14.685 -6.527 1.00 0.00 C ATOM 297 O GLU A 23 2.177 14.155 -6.574 1.00 0.00 O ATOM 298 CB GLU A 23 2.951 17.084 -7.145 1.00 0.00 C ATOM 299 CG GLU A 23 3.620 17.857 -6.022 1.00 0.00 C ATOM 300 CD GLU A 23 4.407 19.053 -6.524 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.795 19.946 -7.146 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.634 19.094 -6.296 1.00 0.00 O ATOM 0 H GLU A 23 2.882 14.493 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 23 4.749 15.945 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.895 17.719 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.927 16.851 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.861 18.196 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.288 17.191 -5.475 1.00 0.00 H new ATOM 309 N LYS A 24 4.214 14.344 -5.636 1.00 0.00 N ATOM 310 CA LYS A 24 3.973 13.305 -4.642 1.00 0.00 C ATOM 311 C LYS A 24 3.337 13.893 -3.386 1.00 0.00 C ATOM 312 O LYS A 24 3.873 14.823 -2.783 1.00 0.00 O ATOM 313 CB LYS A 24 5.281 12.598 -4.283 1.00 0.00 C ATOM 314 CG LYS A 24 5.968 11.947 -5.473 1.00 0.00 C ATOM 315 CD LYS A 24 6.587 10.610 -5.097 1.00 0.00 C ATOM 316 CE LYS A 24 7.781 10.282 -5.979 1.00 0.00 C ATOM 317 NZ LYS A 24 7.843 8.831 -6.310 1.00 0.00 N ATOM 0 H LYS A 24 5.138 14.772 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 24 3.283 12.579 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.962 13.319 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.078 11.836 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.246 11.802 -6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.742 12.612 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.900 10.633 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.839 9.823 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.723 10.863 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.699 10.579 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.671 8.647 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.924 8.278 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.978 8.553 -6.816 1.00 0.00 H new ATOM 331 N PHE A 25 2.191 13.345 -2.997 1.00 0.00 N ATOM 332 CA PHE A 25 1.481 13.816 -1.812 1.00 0.00 C ATOM 333 C PHE A 25 1.940 13.058 -0.566 1.00 0.00 C ATOM 334 O PHE A 25 1.947 11.828 -0.548 1.00 0.00 O ATOM 335 CB PHE A 25 -0.028 13.649 -1.997 1.00 0.00 C ATOM 336 CG PHE A 25 -0.555 14.288 -3.249 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.436 15.655 -3.448 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.168 13.523 -4.229 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.919 16.246 -4.600 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.653 14.109 -5.383 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.528 15.472 -5.568 1.00 0.00 C ATOM 0 H PHE A 25 1.733 12.575 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 25 1.709 14.873 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.268 12.586 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.541 14.079 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.040 16.265 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.268 12.457 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.820 17.312 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.129 13.502 -6.139 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.906 15.932 -6.469 1.00 0.00 H new ATOM 351 N PRO A 26 2.330 13.784 0.500 1.00 0.00 N ATOM 352 CA PRO A 26 2.788 13.165 1.749 1.00 0.00 C ATOM 353 C PRO A 26 1.646 12.532 2.534 1.00 0.00 C ATOM 354 O PRO A 26 0.553 13.092 2.621 1.00 0.00 O ATOM 355 CB PRO A 26 3.386 14.339 2.525 1.00 0.00 C ATOM 356 CG PRO A 26 2.654 15.534 2.022 1.00 0.00 C ATOM 357 CD PRO A 26 2.355 15.259 0.573 1.00 0.00 C ATOM 0 HA PRO A 26 3.492 12.352 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.250 14.214 3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.458 14.427 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.735 15.695 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.257 16.435 2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.401 15.692 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.118 15.680 -0.081 1.00 0.00 H new ATOM 365 N GLY A 27 1.905 11.359 3.104 1.00 0.00 N ATOM 366 CA GLY A 27 0.886 10.669 3.875 1.00 0.00 C ATOM 367 C GLY A 27 1.476 9.731 4.908 1.00 0.00 C ATOM 368 O GLY A 27 2.670 9.431 4.876 1.00 0.00 O ATOM 0 H GLY A 27 2.801 10.875 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.254 11.403 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.245 10.103 3.199 1.00 0.00 H new ATOM 372 N VAL A 28 0.637 9.265 5.828 1.00 0.00 N ATOM 373 CA VAL A 28 1.080 8.354 6.877 1.00 0.00 C ATOM 374 C VAL A 28 0.536 6.948 6.646 1.00 0.00 C ATOM 375 O VAL A 28 -0.674 6.752 6.533 1.00 0.00 O ATOM 376 CB VAL A 28 0.643 8.847 8.271 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.873 8.896 8.375 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.232 7.962 9.361 1.00 0.00 C ATOM 0 H VAL A 28 -0.354 9.504 5.868 1.00 0.00 H new ATOM 0 HA VAL A 28 2.169 8.328 6.839 1.00 0.00 H new ATOM 0 HB VAL A 28 1.024 9.859 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.159 9.247 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.268 9.578 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.281 7.899 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.912 8.326 10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.886 6.937 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.320 7.988 9.303 1.00 0.00 H new ATOM 388 N VAL A 29 1.435 5.973 6.577 1.00 0.00 N ATOM 389 CA VAL A 29 1.043 4.587 6.359 1.00 0.00 C ATOM 390 C VAL A 29 0.114 4.098 7.465 1.00 0.00 C ATOM 391 O VAL A 29 0.419 4.235 8.650 1.00 0.00 O ATOM 392 CB VAL A 29 2.269 3.657 6.285 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.859 2.268 5.818 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.331 4.244 5.368 1.00 0.00 C ATOM 0 H VAL A 29 2.441 6.117 6.669 1.00 0.00 H new ATOM 0 HA VAL A 29 0.517 4.556 5.405 1.00 0.00 H new ATOM 0 HB VAL A 29 2.695 3.568 7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.738 1.625 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.138 1.847 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.407 2.336 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.189 3.573 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.919 4.366 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.647 5.214 5.751 1.00 0.00 H new ATOM 404 N ARG A 30 -1.021 3.530 7.072 1.00 0.00 N ATOM 405 CA ARG A 30 -1.996 3.025 8.033 1.00 0.00 C ATOM 406 C ARG A 30 -2.151 1.511 7.915 1.00 0.00 C ATOM 407 O ARG A 30 -2.451 0.831 8.896 1.00 0.00 O ATOM 408 CB ARG A 30 -3.350 3.704 7.822 1.00 0.00 C ATOM 409 CG ARG A 30 -3.289 5.221 7.900 1.00 0.00 C ATOM 410 CD ARG A 30 -2.956 5.697 9.305 1.00 0.00 C ATOM 411 NE ARG A 30 -3.939 6.655 9.806 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.748 7.423 10.876 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.613 7.350 11.560 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.694 8.268 11.264 1.00 0.00 N ATOM 0 H ARG A 30 -1.289 3.408 6.095 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.631 3.256 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.744 3.414 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.051 3.338 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.538 5.592 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.246 5.640 7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.910 4.840 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.968 6.157 9.307 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.824 6.740 9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.881 6.703 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.472 7.941 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.568 8.329 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.547 8.856 12.084 1.00 0.00 H new ATOM 428 N PHE A 31 -1.945 0.989 6.710 1.00 0.00 N ATOM 429 CA PHE A 31 -2.065 -0.444 6.468 1.00 0.00 C ATOM 430 C PHE A 31 -1.110 -0.892 5.366 1.00 0.00 C ATOM 431 O PHE A 31 -0.561 -0.067 4.635 1.00 0.00 O ATOM 432 CB PHE A 31 -3.503 -0.799 6.088 1.00 0.00 C ATOM 433 CG PHE A 31 -3.793 -2.272 6.135 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.147 -2.884 7.327 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.711 -3.044 4.988 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.415 -4.239 7.374 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.977 -4.400 5.029 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.329 -4.998 6.224 1.00 0.00 C ATOM 0 H PHE A 31 -1.694 1.537 5.887 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.800 -0.966 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.186 -0.281 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.706 -0.429 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.214 -2.295 8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.436 -2.582 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.691 -4.703 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.910 -4.991 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.536 -6.057 6.258 1.00 0.00 H new ATOM 448 N ARG A 32 -0.915 -2.202 5.252 1.00 0.00 N ATOM 449 CA ARG A 32 -0.028 -2.757 4.238 1.00 0.00 C ATOM 450 C ARG A 32 -0.365 -4.218 3.958 1.00 0.00 C ATOM 451 O ARG A 32 -0.589 -5.001 4.881 1.00 0.00 O ATOM 452 CB ARG A 32 1.431 -2.636 4.685 1.00 0.00 C ATOM 453 CG ARG A 32 2.426 -3.159 3.662 1.00 0.00 C ATOM 454 CD ARG A 32 3.728 -3.586 4.320 1.00 0.00 C ATOM 455 NE ARG A 32 3.626 -4.913 4.924 1.00 0.00 N ATOM 456 CZ ARG A 32 4.674 -5.688 5.194 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.906 -5.274 4.921 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.490 -6.881 5.743 1.00 0.00 N ATOM 0 H ARG A 32 -1.360 -2.898 5.850 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.169 -2.188 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.653 -1.589 4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.562 -3.182 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.991 -4.005 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.628 -2.386 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.526 -3.586 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.003 -2.860 5.085 1.00 0.00 H new ATOM 0 HE ARG A 32 2.697 -5.266 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.054 -4.356 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.704 -5.874 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.546 -7.204 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.292 -7.476 5.950 1.00 0.00 H new ATOM 472 N GLY A 33 -0.399 -4.578 2.679 1.00 0.00 N ATOM 473 CA GLY A 33 -0.709 -5.944 2.301 1.00 0.00 C ATOM 474 C GLY A 33 -1.338 -6.036 0.921 1.00 0.00 C ATOM 475 O GLY A 33 -2.204 -5.230 0.580 1.00 0.00 O ATOM 0 H GLY A 33 -0.217 -3.948 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.204 -6.540 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.388 -6.376 3.036 1.00 0.00 H new ATOM 479 N PRO A 34 -0.924 -7.016 0.096 1.00 0.00 N ATOM 480 CA PRO A 34 -1.467 -7.191 -1.255 1.00 0.00 C ATOM 481 C PRO A 34 -2.988 -7.297 -1.259 1.00 0.00 C ATOM 482 O PRO A 34 -3.608 -7.519 -0.219 1.00 0.00 O ATOM 483 CB PRO A 34 -0.841 -8.507 -1.727 1.00 0.00 C ATOM 484 CG PRO A 34 0.404 -8.648 -0.920 1.00 0.00 C ATOM 485 CD PRO A 34 0.103 -8.026 0.415 1.00 0.00 C ATOM 0 HA PRO A 34 -1.237 -6.340 -1.897 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.516 -9.347 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.620 -8.479 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.681 -9.696 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.242 -8.147 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.266 -8.763 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.990 -7.572 0.856 1.00 0.00 H new ATOM 493 N LEU A 35 -3.584 -7.137 -2.436 1.00 0.00 N ATOM 494 CA LEU A 35 -5.033 -7.214 -2.578 1.00 0.00 C ATOM 495 C LEU A 35 -5.420 -8.244 -3.635 1.00 0.00 C ATOM 496 O LEU A 35 -5.910 -7.894 -4.709 1.00 0.00 O ATOM 497 CB LEU A 35 -5.606 -5.843 -2.947 1.00 0.00 C ATOM 498 CG LEU A 35 -5.038 -4.668 -2.149 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.437 -3.348 -2.790 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.511 -4.728 -0.705 1.00 0.00 C ATOM 0 H LEU A 35 -3.085 -6.953 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.452 -7.526 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.425 -5.664 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.687 -5.868 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.950 -4.738 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.025 -2.522 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.049 -3.306 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.524 -3.268 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.098 -3.885 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.600 -4.682 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.175 -5.660 -0.251 1.00 0.00 H new ATOM 512 N LEU A 36 -5.197 -9.516 -3.324 1.00 0.00 N ATOM 513 CA LEU A 36 -5.522 -10.598 -4.246 1.00 0.00 C ATOM 514 C LEU A 36 -4.752 -10.445 -5.555 1.00 0.00 C ATOM 515 O LEU A 36 -4.022 -9.473 -5.746 1.00 0.00 O ATOM 516 CB LEU A 36 -7.025 -10.625 -4.525 1.00 0.00 C ATOM 517 CG LEU A 36 -7.885 -11.179 -3.388 1.00 0.00 C ATOM 518 CD1 LEU A 36 -9.241 -10.491 -3.360 1.00 0.00 C ATOM 519 CD2 LEU A 36 -8.051 -12.685 -3.532 1.00 0.00 C ATOM 0 H LEU A 36 -4.792 -9.823 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.230 -11.539 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.356 -9.611 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.202 -11.223 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.380 -10.977 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.839 -10.898 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.103 -9.420 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.755 -10.661 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.665 -13.063 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.534 -12.908 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.072 -13.164 -3.501 1.00 0.00 H new ATOM 531 N ALA A 37 -4.921 -11.411 -6.451 1.00 0.00 N ATOM 532 CA ALA A 37 -4.242 -11.382 -7.741 1.00 0.00 C ATOM 533 C ALA A 37 -4.763 -12.480 -8.662 1.00 0.00 C ATOM 534 O ALA A 37 -4.751 -13.659 -8.307 1.00 0.00 O ATOM 535 CB ALA A 37 -2.739 -11.522 -7.549 1.00 0.00 C ATOM 0 H ALA A 37 -5.522 -12.223 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.450 -10.421 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.244 -11.499 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.372 -10.699 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.522 -12.469 -7.054 1.00 0.00 H new ATOM 541 N GLU A 38 -5.223 -12.084 -9.844 1.00 0.00 N ATOM 542 CA GLU A 38 -5.750 -13.034 -10.816 1.00 0.00 C ATOM 543 C GLU A 38 -5.095 -12.838 -12.180 1.00 0.00 C ATOM 544 O GLU A 38 -5.424 -11.902 -12.908 1.00 0.00 O ATOM 545 CB GLU A 38 -7.266 -12.880 -10.940 1.00 0.00 C ATOM 546 CG GLU A 38 -8.012 -13.142 -9.641 1.00 0.00 C ATOM 547 CD GLU A 38 -9.402 -12.538 -9.636 1.00 0.00 C ATOM 548 OE1 GLU A 38 -9.595 -11.486 -10.282 1.00 0.00 O ATOM 549 OE2 GLU A 38 -10.298 -13.116 -8.985 1.00 0.00 O ATOM 0 H GLU A 38 -5.241 -11.112 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.521 -14.040 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.494 -11.871 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.631 -13.566 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.086 -14.217 -9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.439 -12.734 -8.808 1.00 0.00 H new ATOM 556 N ARG A 39 -4.166 -13.726 -12.518 1.00 0.00 N ATOM 557 CA ARG A 39 -3.465 -13.650 -13.795 1.00 0.00 C ATOM 558 C ARG A 39 -2.696 -12.339 -13.916 1.00 0.00 C ATOM 559 O ARG A 39 -2.601 -11.760 -14.998 1.00 0.00 O ATOM 560 CB ARG A 39 -4.455 -13.784 -14.954 1.00 0.00 C ATOM 561 CG ARG A 39 -5.105 -15.154 -15.044 1.00 0.00 C ATOM 562 CD ARG A 39 -6.459 -15.086 -15.731 1.00 0.00 C ATOM 563 NE ARG A 39 -6.687 -16.234 -16.606 1.00 0.00 N ATOM 564 CZ ARG A 39 -7.600 -16.259 -17.573 1.00 0.00 C ATOM 565 NH1 ARG A 39 -8.373 -15.203 -17.793 1.00 0.00 N ATOM 566 NH2 ARG A 39 -7.742 -17.344 -18.323 1.00 0.00 N ATOM 0 H ARG A 39 -3.881 -14.506 -11.926 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.752 -14.474 -13.839 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.233 -13.028 -14.845 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.936 -13.575 -15.890 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.451 -15.832 -15.593 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.225 -15.567 -14.042 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.246 -15.042 -14.978 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.524 -14.167 -16.314 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.112 -17.065 -16.467 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.269 -14.366 -17.219 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.071 -15.228 -18.536 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.151 -18.159 -18.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.442 -17.363 -19.065 1.00 0.00 H new ATOM 580 N THR A 40 -2.146 -11.877 -12.797 1.00 0.00 N ATOM 581 CA THR A 40 -1.383 -10.634 -12.777 1.00 0.00 C ATOM 582 C THR A 40 -0.200 -10.739 -11.820 1.00 0.00 C ATOM 583 O THR A 40 -0.184 -11.585 -10.927 1.00 0.00 O ATOM 584 CB THR A 40 -2.281 -9.465 -12.368 1.00 0.00 C ATOM 585 OG1 THR A 40 -1.532 -8.267 -12.276 1.00 0.00 O ATOM 586 CG2 THR A 40 -2.973 -9.678 -11.039 1.00 0.00 C ATOM 0 H THR A 40 -2.215 -12.345 -11.893 1.00 0.00 H new ATOM 0 HA THR A 40 -1.001 -10.455 -13.782 1.00 0.00 H new ATOM 0 HB THR A 40 -3.040 -9.397 -13.147 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.124 -7.531 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.594 -8.812 -10.809 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.599 -10.569 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.226 -9.807 -10.256 1.00 0.00 H new ATOM 594 N VAL A 41 0.790 -9.874 -12.015 1.00 0.00 N ATOM 595 CA VAL A 41 1.978 -9.870 -11.169 1.00 0.00 C ATOM 596 C VAL A 41 1.625 -9.511 -9.728 1.00 0.00 C ATOM 597 O VAL A 41 0.755 -8.677 -9.480 1.00 0.00 O ATOM 598 CB VAL A 41 3.038 -8.881 -11.694 1.00 0.00 C ATOM 599 CG1 VAL A 41 2.494 -7.460 -11.694 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.312 -8.972 -10.868 1.00 0.00 C ATOM 0 H VAL A 41 0.793 -9.167 -12.751 1.00 0.00 H new ATOM 0 HA VAL A 41 2.391 -10.878 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 41 3.279 -9.152 -12.722 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.258 -6.778 -12.068 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.615 -7.407 -12.336 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.220 -7.175 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.047 -8.266 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.090 -8.731 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.713 -9.984 -10.928 1.00 0.00 H new ATOM 610 N SER A 42 2.308 -10.148 -8.782 1.00 0.00 N ATOM 611 CA SER A 42 2.069 -9.897 -7.366 1.00 0.00 C ATOM 612 C SER A 42 2.514 -8.490 -6.981 1.00 0.00 C ATOM 613 O SER A 42 3.707 -8.224 -6.833 1.00 0.00 O ATOM 614 CB SER A 42 2.805 -10.930 -6.511 1.00 0.00 C ATOM 615 OG SER A 42 4.133 -11.118 -6.971 1.00 0.00 O ATOM 0 H SER A 42 3.031 -10.842 -8.971 1.00 0.00 H new ATOM 0 HA SER A 42 0.998 -9.983 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.820 -10.603 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.269 -11.879 -6.539 1.00 0.00 H new ATOM 0 HG SER A 42 4.548 -10.246 -7.137 1.00 0.00 H new ATOM 621 N GLY A 43 1.547 -7.593 -6.819 1.00 0.00 N ATOM 622 CA GLY A 43 1.860 -6.224 -6.452 1.00 0.00 C ATOM 623 C GLY A 43 1.381 -5.872 -5.058 1.00 0.00 C ATOM 624 O GLY A 43 0.179 -5.851 -4.793 1.00 0.00 O ATOM 0 H GLY A 43 0.553 -7.789 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.938 -6.073 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.403 -5.545 -7.172 1.00 0.00 H new ATOM 628 N ILE A 44 2.325 -5.595 -4.164 1.00 0.00 N ATOM 629 CA ILE A 44 1.994 -5.241 -2.789 1.00 0.00 C ATOM 630 C ILE A 44 1.422 -3.830 -2.708 1.00 0.00 C ATOM 631 O ILE A 44 1.804 -2.950 -3.479 1.00 0.00 O ATOM 632 CB ILE A 44 3.228 -5.336 -1.871 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.925 -6.686 -2.054 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.827 -5.135 -0.417 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.388 -6.670 -1.662 1.00 0.00 C ATOM 0 H ILE A 44 3.324 -5.609 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 44 1.243 -5.955 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 44 3.927 -4.546 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.406 -7.437 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.840 -6.991 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.711 -5.205 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.372 -4.152 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.111 -5.904 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.817 -7.660 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.921 -5.943 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.480 -6.396 -0.611 1.00 0.00 H new ATOM 647 N PHE A 45 0.504 -3.621 -1.769 1.00 0.00 N ATOM 648 CA PHE A 45 -0.121 -2.315 -1.588 1.00 0.00 C ATOM 649 C PHE A 45 0.139 -1.776 -0.185 1.00 0.00 C ATOM 650 O PHE A 45 0.082 -2.518 0.796 1.00 0.00 O ATOM 651 CB PHE A 45 -1.627 -2.408 -1.841 1.00 0.00 C ATOM 652 CG PHE A 45 -1.978 -2.721 -3.268 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.909 -4.021 -3.743 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.378 -1.715 -4.133 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.232 -4.311 -5.054 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.703 -2.000 -5.446 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.630 -3.300 -5.907 1.00 0.00 C ATOM 0 H PHE A 45 0.177 -4.339 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 45 0.320 -1.626 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.049 -3.177 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.093 -1.464 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.599 -4.816 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.436 -0.697 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.173 -5.328 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.014 -1.207 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.884 -3.526 -6.932 1.00 0.00 H new ATOM 667 N PHE A 46 0.422 -0.481 -0.098 1.00 0.00 N ATOM 668 CA PHE A 46 0.689 0.159 1.185 1.00 0.00 C ATOM 669 C PHE A 46 -0.303 1.289 1.445 1.00 0.00 C ATOM 670 O PHE A 46 -0.259 2.330 0.789 1.00 0.00 O ATOM 671 CB PHE A 46 2.118 0.704 1.220 1.00 0.00 C ATOM 672 CG PHE A 46 3.168 -0.369 1.299 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.266 -1.334 0.309 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.055 -0.411 2.362 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.232 -2.320 0.379 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.022 -1.395 2.437 1.00 0.00 C ATOM 677 CZ PHE A 46 5.110 -2.351 1.445 1.00 0.00 C ATOM 0 H PHE A 46 0.472 0.146 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 46 0.574 -0.591 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.291 1.305 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.224 1.369 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.581 -1.315 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.990 0.334 3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.300 -3.066 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.708 -1.416 3.271 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.864 -3.122 1.502 1.00 0.00 H new ATOM 687 N GLY A 47 -1.196 1.077 2.405 1.00 0.00 N ATOM 688 CA GLY A 47 -2.185 2.085 2.735 1.00 0.00 C ATOM 689 C GLY A 47 -1.575 3.295 3.416 1.00 0.00 C ATOM 690 O GLY A 47 -0.973 3.176 4.483 1.00 0.00 O ATOM 0 H GLY A 47 -1.252 0.224 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.694 2.402 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.941 1.648 3.387 1.00 0.00 H new ATOM 694 N VAL A 48 -1.730 4.460 2.796 1.00 0.00 N ATOM 695 CA VAL A 48 -1.189 5.698 3.348 1.00 0.00 C ATOM 696 C VAL A 48 -2.221 6.819 3.292 1.00 0.00 C ATOM 697 O VAL A 48 -2.836 7.058 2.252 1.00 0.00 O ATOM 698 CB VAL A 48 0.078 6.142 2.593 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.730 7.324 3.290 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.056 4.984 2.463 1.00 0.00 C ATOM 0 H VAL A 48 -2.225 4.573 1.912 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.931 5.497 4.388 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.212 6.457 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.623 7.623 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.029 8.158 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.006 7.041 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.945 5.317 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.340 4.635 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.584 4.169 1.913 1.00 0.00 H new ATOM 710 N GLU A 49 -2.406 7.505 4.414 1.00 0.00 N ATOM 711 CA GLU A 49 -3.364 8.602 4.492 1.00 0.00 C ATOM 712 C GLU A 49 -2.749 9.900 3.979 1.00 0.00 C ATOM 713 O GLU A 49 -1.759 10.388 4.526 1.00 0.00 O ATOM 714 CB GLU A 49 -3.846 8.785 5.932 1.00 0.00 C ATOM 715 CG GLU A 49 -5.036 9.723 6.059 1.00 0.00 C ATOM 716 CD GLU A 49 -5.500 9.884 7.493 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.640 9.883 8.399 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.724 10.010 7.711 1.00 0.00 O ATOM 0 H GLU A 49 -1.905 7.321 5.283 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.217 8.352 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.115 7.812 6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.024 9.170 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.769 10.700 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.860 9.343 5.455 1.00 0.00 H new ATOM 725 N LEU A 50 -3.342 10.455 2.927 1.00 0.00 N ATOM 726 CA LEU A 50 -2.853 11.697 2.341 1.00 0.00 C ATOM 727 C LEU A 50 -2.935 12.844 3.343 1.00 0.00 C ATOM 728 O LEU A 50 -3.886 12.937 4.119 1.00 0.00 O ATOM 729 CB LEU A 50 -3.657 12.044 1.086 1.00 0.00 C ATOM 730 CG LEU A 50 -3.741 10.929 0.043 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.007 11.070 -0.788 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.511 10.944 -0.852 1.00 0.00 C ATOM 0 H LEU A 50 -4.162 10.064 2.463 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.808 11.552 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.669 12.318 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.213 12.924 0.620 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.777 9.972 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.050 10.268 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.879 11.011 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.001 12.033 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.587 10.144 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.445 11.904 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.618 10.795 -0.245 1.00 0.00 H new ATOM 744 N LEU A 51 -1.932 13.715 3.323 1.00 0.00 N ATOM 745 CA LEU A 51 -1.889 14.856 4.229 1.00 0.00 C ATOM 746 C LEU A 51 -2.646 16.045 3.642 1.00 0.00 C ATOM 747 O LEU A 51 -3.193 15.964 2.542 1.00 0.00 O ATOM 748 CB LEU A 51 -0.441 15.252 4.518 1.00 0.00 C ATOM 749 CG LEU A 51 0.205 14.524 5.699 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.720 14.533 5.569 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.224 15.159 7.013 1.00 0.00 C ATOM 0 H LEU A 51 -1.136 13.652 2.688 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.371 14.565 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.156 15.066 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.404 16.325 4.708 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.132 13.487 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.161 14.011 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.009 14.032 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.078 15.563 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.244 14.630 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.084 16.204 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.308 15.099 7.109 1.00 0.00 H new ATOM 763 N GLU A 52 -2.672 17.147 4.385 1.00 0.00 N ATOM 764 CA GLU A 52 -3.363 18.354 3.940 1.00 0.00 C ATOM 765 C GLU A 52 -2.872 18.790 2.561 1.00 0.00 C ATOM 766 O GLU A 52 -3.621 19.382 1.785 1.00 0.00 O ATOM 767 CB GLU A 52 -3.154 19.485 4.948 1.00 0.00 C ATOM 768 CG GLU A 52 -1.692 19.759 5.261 1.00 0.00 C ATOM 769 CD GLU A 52 -1.508 20.924 6.213 1.00 0.00 C ATOM 770 OE1 GLU A 52 -2.338 21.857 6.177 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.535 20.903 6.997 1.00 0.00 O ATOM 0 H GLU A 52 -2.223 17.230 5.297 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.427 18.127 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.611 20.395 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.675 19.237 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.244 18.865 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.158 19.965 4.333 1.00 0.00 H new ATOM 778 N GLU A 53 -1.611 18.493 2.265 1.00 0.00 N ATOM 779 CA GLU A 53 -1.023 18.853 0.981 1.00 0.00 C ATOM 780 C GLU A 53 -1.760 18.167 -0.166 1.00 0.00 C ATOM 781 O GLU A 53 -2.103 18.802 -1.164 1.00 0.00 O ATOM 782 CB GLU A 53 0.459 18.472 0.949 1.00 0.00 C ATOM 783 CG GLU A 53 1.305 19.394 0.085 1.00 0.00 C ATOM 784 CD GLU A 53 2.319 18.640 -0.752 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.923 18.056 -1.782 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.511 18.633 -0.377 1.00 0.00 O ATOM 0 H GLU A 53 -0.977 18.004 2.897 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.117 19.932 0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.850 18.481 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.555 17.451 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.653 19.970 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.825 20.108 0.723 1.00 0.00 H new ATOM 793 N GLY A 54 -2.000 16.870 -0.016 1.00 0.00 N ATOM 794 CA GLY A 54 -2.697 16.119 -1.046 1.00 0.00 C ATOM 795 C GLY A 54 -3.925 15.408 -0.514 1.00 0.00 C ATOM 796 O GLY A 54 -4.222 14.283 -0.915 1.00 0.00 O ATOM 0 H GLY A 54 -1.725 16.324 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.992 16.796 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.017 15.387 -1.481 1.00 0.00 H new ATOM 800 N ARG A 55 -4.642 16.068 0.390 1.00 0.00 N ATOM 801 CA ARG A 55 -5.846 15.493 0.978 1.00 0.00 C ATOM 802 C ARG A 55 -7.019 15.577 0.006 1.00 0.00 C ATOM 803 O ARG A 55 -7.077 16.473 -0.837 1.00 0.00 O ATOM 804 CB ARG A 55 -6.193 16.211 2.285 1.00 0.00 C ATOM 805 CG ARG A 55 -6.251 15.287 3.489 1.00 0.00 C ATOM 806 CD ARG A 55 -6.274 16.070 4.792 1.00 0.00 C ATOM 807 NE ARG A 55 -7.168 15.468 5.778 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.347 15.947 7.006 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.697 17.034 7.405 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.180 15.339 7.841 1.00 0.00 N ATOM 0 H ARG A 55 -4.410 17.001 0.731 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.652 14.442 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.453 16.989 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.156 16.708 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.140 14.659 3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.389 14.620 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.265 16.122 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.590 17.094 4.594 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.685 14.631 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.056 17.507 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.839 17.396 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.683 14.504 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.317 15.707 8.783 1.00 0.00 H new ATOM 824 N GLY A 56 -7.953 14.640 0.131 1.00 0.00 N ATOM 825 CA GLY A 56 -9.111 14.627 -0.742 1.00 0.00 C ATOM 826 C GLY A 56 -8.830 13.951 -2.071 1.00 0.00 C ATOM 827 O GLY A 56 -9.452 14.275 -3.083 1.00 0.00 O ATOM 0 H GLY A 56 -7.928 13.890 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.932 14.113 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.438 15.651 -0.921 1.00 0.00 H new ATOM 831 N GLN A 57 -7.891 13.012 -2.067 1.00 0.00 N ATOM 832 CA GLN A 57 -7.528 12.289 -3.281 1.00 0.00 C ATOM 833 C GLN A 57 -7.400 10.793 -3.005 1.00 0.00 C ATOM 834 O GLN A 57 -6.433 10.155 -3.423 1.00 0.00 O ATOM 835 CB GLN A 57 -6.216 12.831 -3.850 1.00 0.00 C ATOM 836 CG GLN A 57 -6.305 14.278 -4.310 1.00 0.00 C ATOM 837 CD GLN A 57 -5.761 14.480 -5.711 1.00 0.00 C ATOM 838 OE1 GLN A 57 -5.683 13.539 -6.501 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.381 15.713 -6.027 1.00 0.00 N ATOM 0 H GLN A 57 -7.367 12.733 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.321 12.438 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.438 12.747 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.910 12.209 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.345 14.602 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.753 14.911 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.463 16.464 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.007 15.909 -6.955 1.00 0.00 H new ATOM 848 N GLY A 58 -8.381 10.241 -2.300 1.00 0.00 N ATOM 849 CA GLY A 58 -8.360 8.826 -1.980 1.00 0.00 C ATOM 850 C GLY A 58 -9.537 8.078 -2.574 1.00 0.00 C ATOM 851 O GLY A 58 -10.614 8.646 -2.756 1.00 0.00 O ATOM 0 H GLY A 58 -9.191 10.749 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.432 8.388 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.364 8.702 -0.897 1.00 0.00 H new ATOM 855 N PHE A 59 -9.333 6.799 -2.876 1.00 0.00 N ATOM 856 CA PHE A 59 -10.387 5.972 -3.452 1.00 0.00 C ATOM 857 C PHE A 59 -10.868 4.929 -2.449 1.00 0.00 C ATOM 858 O PHE A 59 -12.068 4.789 -2.211 1.00 0.00 O ATOM 859 CB PHE A 59 -9.885 5.281 -4.723 1.00 0.00 C ATOM 860 CG PHE A 59 -8.562 4.592 -4.550 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.376 5.300 -4.668 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.504 3.235 -4.273 1.00 0.00 C ATOM 863 CE1 PHE A 59 -6.158 4.667 -4.512 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.288 2.598 -4.115 1.00 0.00 C ATOM 865 CZ PHE A 59 -6.113 3.315 -4.235 1.00 0.00 C ATOM 0 H PHE A 59 -8.448 6.314 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.226 6.620 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.626 4.550 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.799 6.021 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.405 6.358 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.419 2.669 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.241 5.230 -4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.256 1.541 -3.898 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.161 2.819 -4.112 1.00 0.00 H new ATOM 875 N THR A 60 -9.925 4.199 -1.864 1.00 0.00 N ATOM 876 CA THR A 60 -10.253 3.168 -0.885 1.00 0.00 C ATOM 877 C THR A 60 -10.781 3.788 0.404 1.00 0.00 C ATOM 878 O THR A 60 -11.810 3.365 0.932 1.00 0.00 O ATOM 879 CB THR A 60 -9.024 2.306 -0.587 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.329 1.316 0.378 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.842 3.101 -0.072 1.00 0.00 C ATOM 0 H THR A 60 -8.927 4.302 -2.050 1.00 0.00 H new ATOM 0 HA THR A 60 -11.035 2.537 -1.308 1.00 0.00 H new ATOM 0 HB THR A 60 -8.749 1.857 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.532 0.774 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.006 2.428 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.549 3.841 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.119 3.607 0.853 1.00 0.00 H new ATOM 889 N ASP A 61 -10.072 4.795 0.907 1.00 0.00 N ATOM 890 CA ASP A 61 -10.470 5.475 2.135 1.00 0.00 C ATOM 891 C ASP A 61 -10.624 4.483 3.286 1.00 0.00 C ATOM 892 O ASP A 61 -11.465 4.666 4.166 1.00 0.00 O ATOM 893 CB ASP A 61 -11.781 6.232 1.922 1.00 0.00 C ATOM 894 CG ASP A 61 -11.772 7.060 0.651 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.770 7.767 0.411 1.00 0.00 O ATOM 896 OD2 ASP A 61 -12.765 7.001 -0.103 1.00 0.00 O ATOM 0 H ASP A 61 -9.219 5.158 0.482 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.685 6.185 2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.606 5.520 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.963 6.884 2.776 1.00 0.00 H new ATOM 901 N GLY A 62 -9.809 3.434 3.270 1.00 0.00 N ATOM 902 CA GLY A 62 -9.874 2.431 4.317 1.00 0.00 C ATOM 903 C GLY A 62 -10.538 1.150 3.854 1.00 0.00 C ATOM 904 O GLY A 62 -10.281 0.077 4.400 1.00 0.00 O ATOM 0 H GLY A 62 -9.106 3.260 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.865 2.208 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.423 2.834 5.168 1.00 0.00 H new ATOM 908 N VAL A 63 -11.395 1.260 2.843 1.00 0.00 N ATOM 909 CA VAL A 63 -12.098 0.101 2.307 1.00 0.00 C ATOM 910 C VAL A 63 -11.808 -0.078 0.819 1.00 0.00 C ATOM 911 O VAL A 63 -11.982 0.848 0.027 1.00 0.00 O ATOM 912 CB VAL A 63 -13.621 0.223 2.515 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.167 1.444 1.792 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.330 -1.042 2.052 1.00 0.00 C ATOM 0 H VAL A 63 -11.619 2.140 2.379 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.735 -0.771 2.851 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.811 0.348 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.243 1.511 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.686 2.342 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.964 1.356 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.404 -0.935 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.131 -1.204 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.964 -1.894 2.624 1.00 0.00 H new ATOM 924 N TYR A 64 -11.364 -1.275 0.449 1.00 0.00 N ATOM 925 CA TYR A 64 -11.051 -1.577 -0.943 1.00 0.00 C ATOM 926 C TYR A 64 -11.977 -2.660 -1.485 1.00 0.00 C ATOM 927 O TYR A 64 -11.933 -3.808 -1.040 1.00 0.00 O ATOM 928 CB TYR A 64 -9.593 -2.022 -1.074 1.00 0.00 C ATOM 929 CG TYR A 64 -9.106 -2.087 -2.505 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.282 -3.235 -3.267 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.471 -1.000 -3.092 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.837 -3.298 -4.574 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.025 -1.056 -4.398 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.210 -2.207 -5.135 1.00 0.00 C ATOM 935 OH TYR A 64 -7.766 -2.266 -6.436 1.00 0.00 O ATOM 0 H TYR A 64 -11.213 -2.051 1.093 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.200 -0.670 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.960 -1.333 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.479 -3.004 -0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.774 -4.092 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.324 -0.097 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.980 -4.198 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.533 -0.202 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.348 -1.413 -6.678 1.00 0.00 H new ATOM 945 N GLN A 65 -12.816 -2.288 -2.446 1.00 0.00 N ATOM 946 CA GLN A 65 -13.755 -3.228 -3.048 1.00 0.00 C ATOM 947 C GLN A 65 -14.741 -3.755 -2.009 1.00 0.00 C ATOM 948 O GLN A 65 -15.267 -4.860 -2.145 1.00 0.00 O ATOM 949 CB GLN A 65 -13.001 -4.394 -3.691 1.00 0.00 C ATOM 950 CG GLN A 65 -12.694 -4.181 -5.164 1.00 0.00 C ATOM 951 CD GLN A 65 -12.474 -5.484 -5.908 1.00 0.00 C ATOM 952 OE1 GLN A 65 -11.692 -6.332 -5.478 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.163 -5.649 -7.031 1.00 0.00 N ATOM 0 H GLN A 65 -12.865 -1.342 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.316 -2.699 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.066 -4.552 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.591 -5.303 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.517 -3.636 -5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.805 -3.558 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.800 -4.919 -7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.055 -6.505 -7.575 1.00 0.00 H new ATOM 962 N GLY A 66 -14.987 -2.961 -0.972 1.00 0.00 N ATOM 963 CA GLY A 66 -15.909 -3.368 0.071 1.00 0.00 C ATOM 964 C GLY A 66 -15.200 -3.908 1.298 1.00 0.00 C ATOM 965 O GLY A 66 -15.746 -3.878 2.400 1.00 0.00 O ATOM 0 H GLY A 66 -14.564 -2.043 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.526 -2.517 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.581 -4.131 -0.321 1.00 0.00 H new ATOM 969 N LYS A 67 -13.981 -4.403 1.108 1.00 0.00 N ATOM 970 CA LYS A 67 -13.199 -4.953 2.210 1.00 0.00 C ATOM 971 C LYS A 67 -12.507 -3.843 2.993 1.00 0.00 C ATOM 972 O LYS A 67 -11.629 -3.155 2.472 1.00 0.00 O ATOM 973 CB LYS A 67 -12.162 -5.944 1.682 1.00 0.00 C ATOM 974 CG LYS A 67 -11.780 -7.017 2.687 1.00 0.00 C ATOM 975 CD LYS A 67 -12.913 -8.008 2.901 1.00 0.00 C ATOM 976 CE LYS A 67 -12.679 -8.864 4.135 1.00 0.00 C ATOM 977 NZ LYS A 67 -11.562 -9.829 3.938 1.00 0.00 N ATOM 0 H LYS A 67 -13.514 -4.435 0.202 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.881 -5.475 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.553 -6.422 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.266 -5.397 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.894 -7.546 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.519 -6.551 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.855 -7.469 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.007 -8.649 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.457 -8.221 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.591 -9.409 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.435 -10.394 4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.785 -10.460 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.686 -9.308 3.732 1.00 0.00 H new ATOM 991 N GLN A 68 -12.907 -3.677 4.249 1.00 0.00 N ATOM 992 CA GLN A 68 -12.324 -2.652 5.108 1.00 0.00 C ATOM 993 C GLN A 68 -11.017 -3.138 5.726 1.00 0.00 C ATOM 994 O GLN A 68 -11.021 -3.842 6.737 1.00 0.00 O ATOM 995 CB GLN A 68 -13.310 -2.261 6.212 1.00 0.00 C ATOM 996 CG GLN A 68 -13.071 -0.869 6.774 1.00 0.00 C ATOM 997 CD GLN A 68 -13.921 0.188 6.096 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.063 -0.069 5.715 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.367 1.385 5.945 1.00 0.00 N ATOM 0 H GLN A 68 -13.632 -4.239 4.695 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.111 -1.777 4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.325 -2.316 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.243 -2.987 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.285 -0.871 7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.018 -0.611 6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.417 1.553 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.891 2.137 5.498 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.902 -2.760 5.112 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.587 -3.158 5.602 1.00 0.00 C ATOM 1010 C LEU A 69 -8.141 -2.267 6.757 1.00 0.00 C ATOM 1011 O LEU A 69 -7.478 -2.726 7.686 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.559 -3.098 4.470 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.834 -4.036 3.294 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.902 -3.725 2.133 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.686 -5.487 3.725 1.00 0.00 C ATOM 0 H LEU A 69 -9.882 -2.179 4.274 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.659 -4.183 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.513 -2.075 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.576 -3.332 4.880 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.860 -3.879 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.113 -4.403 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.057 -2.696 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.868 -3.853 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.885 -6.141 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.671 -5.658 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.395 -5.703 4.524 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.512 -0.993 6.693 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.150 -0.039 7.734 1.00 0.00 C ATOM 1029 C PHE A 70 -9.122 1.138 7.759 1.00 0.00 C ATOM 1030 O PHE A 70 -9.947 1.293 6.859 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.722 0.467 7.519 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.551 1.275 6.264 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.782 0.708 5.021 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.159 2.603 6.328 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.626 1.450 3.865 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.002 3.350 5.175 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.236 2.773 3.943 1.00 0.00 C ATOM 0 H PHE A 70 -9.063 -0.597 5.931 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.205 -0.551 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.428 1.075 8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.044 -0.386 7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.088 -0.326 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.974 3.059 7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.809 0.996 2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.697 4.384 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.114 3.355 3.041 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.018 1.962 8.797 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.887 3.124 8.939 1.00 0.00 C ATOM 1049 C GLN A 71 -9.145 4.406 8.574 1.00 0.00 C ATOM 1050 O GLN A 71 -8.088 4.704 9.130 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.419 3.216 10.372 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.926 3.398 10.450 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.337 4.857 10.466 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.579 5.436 11.525 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -12.419 5.462 9.285 1.00 0.00 N ATOM 0 H GLN A 71 -8.341 1.846 9.551 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.727 3.006 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.142 2.311 10.912 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.934 4.051 10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.393 2.902 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.301 2.909 11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.210 4.945 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.691 6.444 9.233 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.706 5.161 7.634 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.096 6.411 7.195 1.00 0.00 C ATOM 1066 C CYS A 72 -10.160 7.480 6.957 1.00 0.00 C ATOM 1067 O CYS A 72 -11.357 7.205 7.027 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.286 6.183 5.917 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.590 6.805 5.998 1.00 0.00 S ATOM 0 H CYS A 72 -10.580 4.929 7.163 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.428 6.760 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.260 5.115 5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.799 6.664 5.084 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.166 6.751 7.226 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.712 8.699 6.676 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.625 9.810 6.427 1.00 0.00 C ATOM 1077 C ASP A 73 -11.233 9.712 5.033 1.00 0.00 C ATOM 1078 O ASP A 73 -10.940 8.783 4.279 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.892 11.144 6.583 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.940 11.667 8.005 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -9.797 10.853 8.942 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.120 12.890 8.182 1.00 0.00 O ATOM 0 H ASP A 73 -8.724 8.943 6.615 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.430 9.757 7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.853 11.022 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.336 11.880 5.913 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.085 10.675 4.695 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.736 10.696 3.390 1.00 0.00 C ATOM 1089 C GLU A 74 -11.775 11.183 2.310 1.00 0.00 C ATOM 1090 O GLU A 74 -11.261 12.299 2.379 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.975 11.593 3.430 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.744 11.627 2.119 1.00 0.00 C ATOM 1093 CD GLU A 74 -15.706 12.795 2.037 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -15.238 13.937 1.842 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.927 12.569 2.169 1.00 0.00 O ATOM 0 H GLU A 74 -12.340 11.450 5.306 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.041 9.678 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.639 11.246 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.671 12.607 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.039 11.683 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.298 10.696 2.003 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.538 10.338 1.312 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.640 10.682 0.216 1.00 0.00 C ATOM 1104 C ASP A 75 -9.233 10.965 0.734 1.00 0.00 C ATOM 1105 O ASP A 75 -8.573 11.904 0.287 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.172 11.899 -0.544 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.465 11.602 -1.277 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -13.324 10.898 -0.704 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.620 12.073 -2.423 1.00 0.00 O ATOM 0 H ASP A 75 -11.955 9.410 1.240 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.593 9.831 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.334 12.719 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.421 12.234 -1.259 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.779 10.146 1.677 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.450 10.307 2.255 1.00 0.00 C ATOM 1116 C CYS A 76 -6.644 9.019 2.135 1.00 0.00 C ATOM 1117 O CYS A 76 -5.523 9.020 1.628 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.556 10.722 3.724 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.409 12.294 3.987 1.00 0.00 S ATOM 0 H CYS A 76 -9.312 9.364 2.057 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.933 11.090 1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.080 9.940 4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.553 10.791 4.144 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.538 12.288 3.343 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.224 7.918 2.605 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.546 6.637 2.542 1.00 0.00 C ATOM 1127 C GLY A 77 -6.316 6.173 1.117 1.00 0.00 C ATOM 1128 O GLY A 77 -7.240 6.168 0.302 1.00 0.00 O ATOM 0 H GLY A 77 -8.152 7.891 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.588 6.711 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.136 5.890 3.073 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.082 5.782 0.815 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.735 5.314 -0.521 1.00 0.00 C ATOM 1134 C VAL A 78 -3.742 4.157 -0.458 1.00 0.00 C ATOM 1135 O VAL A 78 -2.857 4.131 0.396 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.131 6.446 -1.374 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.214 7.413 -1.823 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -3.042 7.174 -0.601 1.00 0.00 C ATOM 0 H VAL A 78 -4.306 5.780 1.477 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.660 4.972 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.680 6.005 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.768 8.205 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.955 6.879 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.697 7.849 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.627 7.970 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.465 7.603 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.252 6.471 -0.336 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.897 3.202 -1.370 1.00 0.00 N ATOM 1149 CA PHE A 79 -3.015 2.042 -1.419 1.00 0.00 C ATOM 1150 C PHE A 79 -2.045 2.146 -2.592 1.00 0.00 C ATOM 1151 O PHE A 79 -2.459 2.307 -3.740 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.836 0.755 -1.532 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.137 0.117 -0.206 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -3.111 -0.265 0.643 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.447 -0.101 0.192 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.385 -0.853 1.864 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.727 -0.688 1.410 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.695 -1.064 2.248 1.00 0.00 C ATOM 0 H PHE A 79 -4.625 3.209 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.438 2.016 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.774 0.976 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.295 0.042 -2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.085 -0.102 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.258 0.192 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.576 -1.147 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.752 -0.853 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.912 -1.522 3.202 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.753 2.056 -2.294 1.00 0.00 N ATOM 1169 CA VAL A 80 0.276 2.142 -3.324 1.00 0.00 C ATOM 1170 C VAL A 80 1.473 1.262 -2.981 1.00 0.00 C ATOM 1171 O VAL A 80 1.715 0.953 -1.814 1.00 0.00 O ATOM 1172 CB VAL A 80 0.758 3.592 -3.517 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.368 4.464 -4.050 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.304 4.151 -2.212 1.00 0.00 C ATOM 0 H VAL A 80 -0.394 1.924 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.176 1.791 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 80 1.564 3.593 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.008 5.485 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.707 4.074 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.198 4.459 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.640 5.176 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.521 4.137 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.143 3.541 -1.878 1.00 0.00 H new ATOM 1184 N ALA A 81 2.220 0.860 -4.005 1.00 0.00 N ATOM 1185 CA ALA A 81 3.392 0.015 -3.810 1.00 0.00 C ATOM 1186 C ALA A 81 4.528 0.791 -3.153 1.00 0.00 C ATOM 1187 O ALA A 81 4.595 2.016 -3.251 1.00 0.00 O ATOM 1188 CB ALA A 81 3.847 -0.567 -5.140 1.00 0.00 C ATOM 0 H ALA A 81 2.034 1.106 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 81 3.114 -0.801 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.723 -1.196 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.043 -1.165 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.101 0.243 -5.824 1.00 0.00 H new ATOM 1194 N LEU A 82 5.421 0.066 -2.482 1.00 0.00 N ATOM 1195 CA LEU A 82 6.559 0.682 -1.806 1.00 0.00 C ATOM 1196 C LEU A 82 7.308 1.621 -2.746 1.00 0.00 C ATOM 1197 O LEU A 82 7.667 2.737 -2.369 1.00 0.00 O ATOM 1198 CB LEU A 82 7.510 -0.395 -1.279 1.00 0.00 C ATOM 1199 CG LEU A 82 8.727 0.131 -0.518 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.384 0.357 0.946 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.895 -0.835 -0.651 1.00 0.00 C ATOM 0 H LEU A 82 5.378 -0.949 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 82 6.179 1.264 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.951 -1.062 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.858 -0.994 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 82 9.019 1.087 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.262 0.731 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.577 1.086 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.066 -0.584 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.753 -0.446 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.613 -1.805 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.156 -0.947 -1.703 1.00 0.00 H new ATOM 1213 N ASP A 83 7.533 1.163 -3.973 1.00 0.00 N ATOM 1214 CA ASP A 83 8.232 1.963 -4.971 1.00 0.00 C ATOM 1215 C ASP A 83 7.528 3.301 -5.178 1.00 0.00 C ATOM 1216 O ASP A 83 8.153 4.291 -5.556 1.00 0.00 O ATOM 1217 CB ASP A 83 8.315 1.206 -6.297 1.00 0.00 C ATOM 1218 CG ASP A 83 6.979 0.622 -6.714 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.660 -0.503 -6.277 1.00 0.00 O ATOM 1220 OD2 ASP A 83 6.252 1.291 -7.479 1.00 0.00 O ATOM 0 H ASP A 83 7.241 0.242 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 83 9.242 2.153 -4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.673 1.880 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.048 0.404 -6.209 1.00 0.00 H new ATOM 1225 N LYS A 84 6.222 3.321 -4.924 1.00 0.00 N ATOM 1226 CA LYS A 84 5.434 4.537 -5.077 1.00 0.00 C ATOM 1227 C LYS A 84 5.579 5.435 -3.853 1.00 0.00 C ATOM 1228 O LYS A 84 5.431 6.654 -3.944 1.00 0.00 O ATOM 1229 CB LYS A 84 3.960 4.191 -5.300 1.00 0.00 C ATOM 1230 CG LYS A 84 3.740 3.126 -6.363 1.00 0.00 C ATOM 1231 CD LYS A 84 3.365 3.742 -7.702 1.00 0.00 C ATOM 1232 CE LYS A 84 2.925 2.683 -8.699 1.00 0.00 C ATOM 1233 NZ LYS A 84 3.401 2.983 -10.079 1.00 0.00 N ATOM 0 H LYS A 84 5.689 2.509 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 84 5.808 5.076 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.529 3.848 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.422 5.095 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.646 2.531 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.951 2.446 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.562 4.465 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.218 4.289 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.307 1.711 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.837 2.614 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.079 2.236 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.016 3.899 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.440 3.024 -10.087 1.00 0.00 H new ATOM 1247 N LEU A 85 5.870 4.826 -2.705 1.00 0.00 N ATOM 1248 CA LEU A 85 6.035 5.573 -1.464 1.00 0.00 C ATOM 1249 C LEU A 85 7.414 6.222 -1.401 1.00 0.00 C ATOM 1250 O LEU A 85 8.411 5.627 -1.811 1.00 0.00 O ATOM 1251 CB LEU A 85 5.837 4.651 -0.259 1.00 0.00 C ATOM 1252 CG LEU A 85 4.428 4.076 -0.108 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.356 3.153 1.099 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.407 5.197 0.014 1.00 0.00 C ATOM 0 H LEU A 85 5.996 3.818 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 85 5.281 6.359 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.544 3.825 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.086 5.204 0.647 1.00 0.00 H new ATOM 0 HG LEU A 85 4.195 3.494 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.346 2.753 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.062 2.332 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.609 3.712 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.410 4.771 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.637 5.805 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.442 5.820 -0.880 1.00 0.00 H new ATOM 1266 N GLU A 86 7.463 7.445 -0.882 1.00 0.00 N ATOM 1267 CA GLU A 86 8.722 8.175 -0.764 1.00 0.00 C ATOM 1268 C GLU A 86 9.071 8.422 0.700 1.00 0.00 C ATOM 1269 O GLU A 86 8.498 9.301 1.345 1.00 0.00 O ATOM 1270 CB GLU A 86 8.636 9.506 -1.512 1.00 0.00 C ATOM 1271 CG GLU A 86 9.974 9.995 -2.041 1.00 0.00 C ATOM 1272 CD GLU A 86 10.011 11.498 -2.234 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.539 12.224 -1.334 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.513 11.949 -3.286 1.00 0.00 O ATOM 0 H GLU A 86 6.647 7.951 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 86 9.510 7.567 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.942 9.400 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.220 10.262 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.763 9.702 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.186 9.505 -2.991 1.00 0.00 H new ATOM 1281 N LEU A 87 10.014 7.643 1.217 1.00 0.00 N ATOM 1282 CA LEU A 87 10.441 7.777 2.606 1.00 0.00 C ATOM 1283 C LEU A 87 10.985 9.176 2.876 1.00 0.00 C ATOM 1284 O LEU A 87 11.828 9.680 2.133 1.00 0.00 O ATOM 1285 CB LEU A 87 11.507 6.730 2.936 1.00 0.00 C ATOM 1286 CG LEU A 87 11.890 6.639 4.413 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.767 6.005 5.218 1.00 0.00 C ATOM 1288 CD2 LEU A 87 13.180 5.849 4.580 1.00 0.00 C ATOM 0 H LEU A 87 10.498 6.912 0.696 1.00 0.00 H new ATOM 0 HA LEU A 87 9.572 7.616 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.149 5.754 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.404 6.952 2.357 1.00 0.00 H new ATOM 0 HG LEU A 87 12.053 7.649 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.058 5.949 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.865 6.610 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.571 5.001 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.438 5.794 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.043 4.842 4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.984 6.345 4.036 1.00 0.00 H new ATOM 1300 N ILE A 88 10.497 9.798 3.944 1.00 0.00 N ATOM 1301 CA ILE A 88 10.934 11.139 4.313 1.00 0.00 C ATOM 1302 C ILE A 88 11.911 11.093 5.483 1.00 0.00 C ATOM 1303 O ILE A 88 11.884 10.166 6.291 1.00 0.00 O ATOM 1304 CB ILE A 88 9.740 12.037 4.691 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.663 11.979 3.604 1.00 0.00 C ATOM 1306 CG2 ILE A 88 10.201 13.471 4.908 1.00 0.00 C ATOM 1307 CD1 ILE A 88 7.271 12.280 4.116 1.00 0.00 C ATOM 0 H ILE A 88 9.799 9.395 4.569 1.00 0.00 H new ATOM 0 HA ILE A 88 11.433 11.561 3.440 1.00 0.00 H new ATOM 0 HB ILE A 88 9.311 11.668 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.914 12.690 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.668 10.988 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.346 14.092 5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.935 13.499 5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.653 13.850 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.560 12.221 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.000 11.554 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.249 13.283 4.543 1.00 0.00 H new ATOM 1319 N GLU A 89 12.774 12.101 5.567 1.00 0.00 N ATOM 1320 CA GLU A 89 13.760 12.175 6.639 1.00 0.00 C ATOM 1321 C GLU A 89 13.894 13.603 7.158 1.00 0.00 C ATOM 1322 O GLU A 89 13.680 14.564 6.420 1.00 0.00 O ATOM 1323 CB GLU A 89 15.117 11.669 6.147 1.00 0.00 C ATOM 1324 CG GLU A 89 15.041 10.347 5.402 1.00 0.00 C ATOM 1325 CD GLU A 89 16.309 9.527 5.538 1.00 0.00 C ATOM 1326 OE1 GLU A 89 16.658 9.159 6.679 1.00 0.00 O ATOM 1327 OE2 GLU A 89 16.951 9.250 4.503 1.00 0.00 O ATOM 0 H GLU A 89 12.810 12.877 4.906 1.00 0.00 H new ATOM 0 HA GLU A 89 13.418 11.541 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.560 12.420 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.785 11.557 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.197 9.770 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.849 10.540 4.347 1.00 0.00 H new ATOM 1334 N SER A 90 14.250 13.732 8.432 1.00 0.00 N ATOM 1335 CA SER A 90 14.413 15.043 9.050 1.00 0.00 C ATOM 1336 C SER A 90 15.615 15.057 9.989 1.00 0.00 C ATOM 1337 O SER A 90 16.622 15.712 9.716 1.00 0.00 O ATOM 1338 CB SER A 90 13.148 15.430 9.817 1.00 0.00 C ATOM 1339 OG SER A 90 12.878 16.815 9.692 1.00 0.00 O ATOM 0 H SER A 90 14.431 12.946 9.056 1.00 0.00 H new ATOM 0 HA SER A 90 14.586 15.771 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.301 14.856 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.265 15.173 10.870 1.00 0.00 H new ATOM 0 HG SER A 90 12.063 17.036 10.190 1.00 0.00 H new ATOM 1345 N GLY A 91 15.504 14.329 11.095 1.00 0.00 N ATOM 1346 CA GLY A 91 16.589 14.271 12.057 1.00 0.00 C ATOM 1347 C GLY A 91 16.520 15.391 13.080 1.00 0.00 C ATOM 1348 O GLY A 91 17.006 16.493 12.827 1.00 0.00 O ATOM 0 H GLY A 91 14.682 13.778 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.563 13.311 12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.541 14.324 11.529 1.00 0.00 H new ATOM 1352 N PRO A 92 15.915 15.139 14.254 1.00 0.00 N ATOM 1353 CA PRO A 92 15.793 16.148 15.311 1.00 0.00 C ATOM 1354 C PRO A 92 17.140 16.503 15.931 1.00 0.00 C ATOM 1355 O PRO A 92 17.426 17.671 16.193 1.00 0.00 O ATOM 1356 CB PRO A 92 14.888 15.475 16.347 1.00 0.00 C ATOM 1357 CG PRO A 92 15.069 14.015 16.119 1.00 0.00 C ATOM 1358 CD PRO A 92 15.307 13.853 14.643 1.00 0.00 C ATOM 0 HA PRO A 92 15.398 17.090 14.930 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.172 15.755 17.361 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.847 15.770 16.214 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.912 13.632 16.695 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.187 13.458 16.436 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.971 13.014 14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.378 13.668 14.104 1.00 0.00 H new ATOM 1366 N SER A 93 17.965 15.486 16.163 1.00 0.00 N ATOM 1367 CA SER A 93 19.283 15.691 16.753 1.00 0.00 C ATOM 1368 C SER A 93 20.374 15.593 15.692 1.00 0.00 C ATOM 1369 O SER A 93 20.220 14.893 14.691 1.00 0.00 O ATOM 1370 CB SER A 93 19.536 14.665 17.858 1.00 0.00 C ATOM 1371 OG SER A 93 19.097 15.150 19.115 1.00 0.00 O ATOM 0 H SER A 93 17.744 14.513 15.952 1.00 0.00 H new ATOM 0 HA SER A 93 19.309 16.692 17.184 1.00 0.00 H new ATOM 0 HB2 SER A 93 19.017 13.736 17.622 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.600 14.432 17.906 1.00 0.00 H new ATOM 0 HG SER A 93 19.268 14.475 19.804 1.00 0.00 H new ATOM 1377 N SER A 94 21.477 16.299 15.918 1.00 0.00 N ATOM 1378 CA SER A 94 22.595 16.291 14.980 1.00 0.00 C ATOM 1379 C SER A 94 23.870 16.794 15.649 1.00 0.00 C ATOM 1380 O SER A 94 24.165 17.989 15.627 1.00 0.00 O ATOM 1381 CB SER A 94 22.271 17.156 13.760 1.00 0.00 C ATOM 1382 OG SER A 94 21.632 16.395 12.750 1.00 0.00 O ATOM 0 H SER A 94 21.621 16.883 16.741 1.00 0.00 H new ATOM 0 HA SER A 94 22.757 15.263 14.656 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.627 17.984 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 94 23.189 17.592 13.365 1.00 0.00 H new ATOM 0 HG SER A 94 21.034 15.739 13.164 1.00 0.00 H new ATOM 1388 N GLY A 95 24.622 15.874 16.245 1.00 0.00 N ATOM 1389 CA GLY A 95 25.857 16.243 16.913 1.00 0.00 C ATOM 1390 C GLY A 95 25.997 15.592 18.275 1.00 0.00 C ATOM 1391 O GLY A 95 25.386 14.524 18.489 1.00 0.00 O ATOM 1392 OXT GLY A 95 26.718 16.151 19.127 1.00 0.00 O ATOM 0 H GLY A 95 24.398 14.879 16.277 1.00 0.00 H new ATOM 0 HA2 GLY A 95 26.703 15.957 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 95 25.896 17.326 17.026 1.00 0.00 H new TER 1396 GLY A 95