USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 22 LYS NZ :NH3+ 156:sc= -0.0788 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -122:sc= -1.76 (180deg=-3.55!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 10 SER OG : rot 180:sc= -3! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 140:sc= -2.31! USER MOD Single : A 23 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.083) USER MOD Single : A 25 SER OG : rot -145:sc= -0.218 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 48 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.753 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00371) USER MOD Single : A 69 ASN : amide:sc= -3.15! C(o=-3.1!,f=-7.4!) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.918 (180deg=-1.07) USER MOD Single : A 74 GLN : amide:sc= -0.665 K(o=-0.66,f=-11!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.125 USER MOD Single : A 84 SER OG : rot -170:sc= -1.09 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -26:sc= -6.85! USER MOD Single : A 88 THR OG1 : rot 54:sc= 0.397 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -54:sc= 0.0126 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 91.695 32.025 7.805 1.00 0.00 N ATOM 2 CA SER A 1 92.428 31.512 8.998 1.00 0.00 C ATOM 3 C SER A 1 93.439 30.441 8.579 1.00 0.00 C ATOM 4 O SER A 1 93.131 29.267 8.532 1.00 0.00 O ATOM 5 CB SER A 1 91.349 30.908 9.895 1.00 0.00 C ATOM 6 OG SER A 1 90.851 31.910 10.770 1.00 0.00 O ATOM 0 H1 SER A 1 91.012 32.751 8.103 1.00 0.00 H new ATOM 0 H2 SER A 1 92.372 32.441 7.134 1.00 0.00 H new ATOM 0 H3 SER A 1 91.189 31.241 7.345 1.00 0.00 H new ATOM 0 HA SER A 1 92.989 32.296 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 1 90.539 30.504 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 1 91.760 30.078 10.470 1.00 0.00 H new ATOM 0 HG SER A 1 90.157 31.526 11.346 1.00 0.00 H new ATOM 14 N HIS A 2 94.644 30.837 8.273 1.00 0.00 N ATOM 15 CA HIS A 2 95.674 29.842 7.857 1.00 0.00 C ATOM 16 C HIS A 2 95.119 28.936 6.754 1.00 0.00 C ATOM 17 O HIS A 2 94.181 29.284 6.065 1.00 0.00 O ATOM 18 CB HIS A 2 95.973 29.032 9.118 1.00 0.00 C ATOM 19 CG HIS A 2 97.440 29.123 9.436 1.00 0.00 C ATOM 20 ND1 HIS A 2 97.954 30.091 10.284 1.00 0.00 N ATOM 21 CD2 HIS A 2 98.516 28.375 9.028 1.00 0.00 C ATOM 22 CE1 HIS A 2 99.283 29.902 10.359 1.00 0.00 C ATOM 23 NE2 HIS A 2 99.679 28.868 9.612 1.00 0.00 N ATOM 0 H HIS A 2 94.960 31.806 8.293 1.00 0.00 H new ATOM 0 HA HIS A 2 96.570 30.317 7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 2 95.385 29.410 9.954 1.00 0.00 H new ATOM 0 HB3 HIS A 2 95.686 27.991 8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 2 98.467 27.531 8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 2 99.949 30.512 10.951 1.00 0.00 H new ATOM 0 HE2 HIS A 2 100.629 28.516 9.495 1.00 0.00 H new ATOM 31 N MET A 3 95.691 27.776 6.582 1.00 0.00 N ATOM 32 CA MET A 3 95.195 26.850 5.524 1.00 0.00 C ATOM 33 C MET A 3 94.992 25.446 6.102 1.00 0.00 C ATOM 34 O MET A 3 95.068 25.238 7.296 1.00 0.00 O ATOM 35 CB MET A 3 96.295 26.838 4.462 1.00 0.00 C ATOM 36 CG MET A 3 95.661 26.741 3.073 1.00 0.00 C ATOM 37 SD MET A 3 96.697 27.619 1.875 1.00 0.00 S ATOM 38 CE MET A 3 96.035 29.276 2.176 1.00 0.00 C ATOM 0 H MET A 3 96.480 27.429 7.128 1.00 0.00 H new ATOM 0 HA MET A 3 94.236 27.166 5.115 1.00 0.00 H new ATOM 0 HB2 MET A 3 96.897 27.744 4.536 1.00 0.00 H new ATOM 0 HB3 MET A 3 96.966 25.995 4.627 1.00 0.00 H new ATOM 0 HG2 MET A 3 95.555 25.696 2.782 1.00 0.00 H new ATOM 0 HG3 MET A 3 94.659 27.171 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 3 96.542 29.993 1.530 1.00 0.00 H new ATOM 0 HE2 MET A 3 94.966 29.286 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 3 96.198 29.549 3.219 1.00 0.00 H new ATOM 48 N LEU A 4 94.733 24.482 5.261 1.00 0.00 N ATOM 49 CA LEU A 4 94.525 23.093 5.762 1.00 0.00 C ATOM 50 C LEU A 4 93.286 23.035 6.660 1.00 0.00 C ATOM 51 O LEU A 4 92.249 22.536 6.271 1.00 0.00 O ATOM 52 CB LEU A 4 95.786 22.768 6.565 1.00 0.00 C ATOM 53 CG LEU A 4 96.374 21.444 6.075 1.00 0.00 C ATOM 54 CD1 LEU A 4 97.722 21.202 6.757 1.00 0.00 C ATOM 55 CD2 LEU A 4 95.416 20.302 6.422 1.00 0.00 C ATOM 0 H LEU A 4 94.656 24.596 4.250 1.00 0.00 H new ATOM 0 HA LEU A 4 94.364 22.382 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 4 96.518 23.568 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 4 95.547 22.702 7.626 1.00 0.00 H new ATOM 0 HG LEU A 4 96.515 21.486 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 4 98.142 20.258 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 4 98.405 22.016 6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 4 97.581 21.159 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 4 95.834 19.358 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 4 95.276 20.260 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 4 94.455 20.474 5.938 1.00 0.00 H new ATOM 67 N GLU A 5 93.386 23.541 7.858 1.00 0.00 N ATOM 68 CA GLU A 5 92.213 23.514 8.779 1.00 0.00 C ATOM 69 C GLU A 5 91.664 22.089 8.895 1.00 0.00 C ATOM 70 O GLU A 5 92.127 21.180 8.237 1.00 0.00 O ATOM 71 CB GLU A 5 91.179 24.435 8.130 1.00 0.00 C ATOM 72 CG GLU A 5 91.762 25.844 7.999 1.00 0.00 C ATOM 73 CD GLU A 5 91.280 26.706 9.167 1.00 0.00 C ATOM 74 OE1 GLU A 5 90.102 27.025 9.196 1.00 0.00 O ATOM 75 OE2 GLU A 5 92.096 27.033 10.013 1.00 0.00 O ATOM 0 H GLU A 5 94.228 23.972 8.240 1.00 0.00 H new ATOM 0 HA GLU A 5 92.472 23.838 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 5 90.901 24.052 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 5 90.270 24.460 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 5 92.851 25.799 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 5 91.455 26.290 7.053 1.00 0.00 H new ATOM 82 N ASP A 6 90.680 21.889 9.728 1.00 0.00 N ATOM 83 CA ASP A 6 90.103 20.524 9.887 1.00 0.00 C ATOM 84 C ASP A 6 89.724 19.947 8.520 1.00 0.00 C ATOM 85 O ASP A 6 89.663 20.662 7.539 1.00 0.00 O ATOM 86 CB ASP A 6 88.856 20.718 10.749 1.00 0.00 C ATOM 87 CG ASP A 6 89.087 20.095 12.127 1.00 0.00 C ATOM 88 OD1 ASP A 6 89.870 19.163 12.211 1.00 0.00 O ATOM 89 OD2 ASP A 6 88.476 20.561 13.076 1.00 0.00 O ATOM 0 H ASP A 6 90.250 22.612 10.306 1.00 0.00 H new ATOM 0 HA ASP A 6 90.809 19.829 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 6 88.633 21.780 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 6 87.993 20.256 10.269 1.00 0.00 H new ATOM 94 N PRO A 7 89.491 18.662 8.503 1.00 0.00 N ATOM 95 CA PRO A 7 89.123 17.965 7.249 1.00 0.00 C ATOM 96 C PRO A 7 87.624 18.107 6.957 1.00 0.00 C ATOM 97 O PRO A 7 87.027 17.264 6.318 1.00 0.00 O ATOM 98 CB PRO A 7 89.470 16.512 7.542 1.00 0.00 C ATOM 99 CG PRO A 7 89.398 16.372 9.034 1.00 0.00 C ATOM 100 CD PRO A 7 89.565 17.744 9.642 1.00 0.00 C ATOM 0 HA PRO A 7 89.638 18.367 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.771 15.835 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.465 16.265 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.443 15.938 9.330 1.00 0.00 H new ATOM 0 HG3 PRO A 7 90.178 15.700 9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 7 88.782 17.953 10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 7 90.518 17.834 10.163 1.00 0.00 H new ATOM 108 N CYS A 8 87.012 19.162 7.416 1.00 0.00 N ATOM 109 CA CYS A 8 85.554 19.350 7.162 1.00 0.00 C ATOM 110 C CYS A 8 84.744 18.294 7.918 1.00 0.00 C ATOM 111 O CYS A 8 83.555 18.146 7.715 1.00 0.00 O ATOM 112 CB CYS A 8 85.385 19.176 5.652 1.00 0.00 C ATOM 113 SG CYS A 8 83.998 20.187 5.079 1.00 0.00 S ATOM 0 H CYS A 8 87.457 19.904 7.957 1.00 0.00 H new ATOM 0 HA CYS A 8 85.200 20.324 7.501 1.00 0.00 H new ATOM 0 HB2 CYS A 8 86.300 19.469 5.137 1.00 0.00 H new ATOM 0 HB3 CYS A 8 85.207 18.127 5.414 1.00 0.00 H new ATOM 0 HG CYS A 8 83.856 20.041 3.795 1.00 0.00 H new ATOM 119 N THR A 9 85.380 17.558 8.792 1.00 0.00 N ATOM 120 CA THR A 9 84.654 16.508 9.570 1.00 0.00 C ATOM 121 C THR A 9 84.283 15.328 8.665 1.00 0.00 C ATOM 122 O THR A 9 83.673 14.371 9.101 1.00 0.00 O ATOM 123 CB THR A 9 83.392 17.195 10.096 1.00 0.00 C ATOM 124 OG1 THR A 9 83.693 18.544 10.428 1.00 0.00 O ATOM 125 CG2 THR A 9 82.888 16.461 11.339 1.00 0.00 C ATOM 0 H THR A 9 86.375 17.639 9.002 1.00 0.00 H new ATOM 0 HA THR A 9 85.266 16.106 10.378 1.00 0.00 H new ATOM 0 HB THR A 9 82.619 17.173 9.328 1.00 0.00 H new ATOM 0 HG1 THR A 9 82.885 18.986 10.764 1.00 0.00 H new ATOM 0 HG21 THR A 9 81.989 16.952 11.712 1.00 0.00 H new ATOM 0 HG22 THR A 9 82.657 15.427 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 9 83.658 16.480 12.110 1.00 0.00 H new ATOM 133 N SER A 10 84.645 15.385 7.412 1.00 0.00 N ATOM 134 CA SER A 10 84.312 14.263 6.487 1.00 0.00 C ATOM 135 C SER A 10 82.878 13.783 6.730 1.00 0.00 C ATOM 136 O SER A 10 82.606 12.600 6.755 1.00 0.00 O ATOM 137 CB SER A 10 85.311 13.159 6.830 1.00 0.00 C ATOM 138 OG SER A 10 85.666 12.462 5.643 1.00 0.00 O ATOM 0 H SER A 10 85.157 16.159 6.989 1.00 0.00 H new ATOM 0 HA SER A 10 84.374 14.559 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 10 86.200 13.588 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 10 84.875 12.470 7.554 1.00 0.00 H new ATOM 0 HG SER A 10 86.308 11.754 5.859 1.00 0.00 H new ATOM 144 N LYS A 11 81.960 14.693 6.912 1.00 0.00 N ATOM 145 CA LYS A 11 80.546 14.286 7.155 1.00 0.00 C ATOM 146 C LYS A 11 79.955 13.650 5.894 1.00 0.00 C ATOM 147 O LYS A 11 79.444 12.549 5.925 1.00 0.00 O ATOM 148 CB LYS A 11 79.813 15.582 7.499 1.00 0.00 C ATOM 149 CG LYS A 11 78.333 15.282 7.741 1.00 0.00 C ATOM 150 CD LYS A 11 77.601 16.576 8.102 1.00 0.00 C ATOM 151 CE LYS A 11 76.196 16.554 7.497 1.00 0.00 C ATOM 152 NZ LYS A 11 75.674 17.935 7.691 1.00 0.00 N ATOM 0 H LYS A 11 82.127 15.699 6.903 1.00 0.00 H new ATOM 0 HA LYS A 11 80.460 13.547 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 11 80.253 16.036 8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.921 16.300 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 11 77.891 14.838 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 78.226 14.555 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 11 77.540 16.682 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 78.156 17.437 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 11 76.225 16.287 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 11 75.563 15.819 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 74.712 18.001 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 75.652 18.158 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 76.293 18.612 7.201 1.00 0.00 H new ATOM 166 N LYS A 12 80.021 14.334 4.784 1.00 0.00 N ATOM 167 CA LYS A 12 79.463 13.762 3.526 1.00 0.00 C ATOM 168 C LYS A 12 80.492 12.845 2.866 1.00 0.00 C ATOM 169 O LYS A 12 80.334 12.425 1.738 1.00 0.00 O ATOM 170 CB LYS A 12 79.162 14.969 2.637 1.00 0.00 C ATOM 171 CG LYS A 12 78.176 15.896 3.349 1.00 0.00 C ATOM 172 CD LYS A 12 77.374 16.684 2.312 1.00 0.00 C ATOM 173 CE LYS A 12 75.930 16.179 2.291 1.00 0.00 C ATOM 174 NZ LYS A 12 75.622 15.956 0.850 1.00 0.00 N ATOM 0 H LYS A 12 80.436 15.261 4.694 1.00 0.00 H new ATOM 0 HA LYS A 12 78.571 13.161 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 12 80.083 15.506 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 78.744 14.638 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 77.503 15.314 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 78.714 16.581 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 12 77.395 17.747 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 12 77.824 16.571 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 12 75.825 15.258 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 12 75.250 16.908 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 74.647 15.608 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 75.723 16.851 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 76.281 15.253 0.459 1.00 0.00 H new ATOM 188 N VAL A 13 81.541 12.527 3.569 1.00 0.00 N ATOM 189 CA VAL A 13 82.581 11.629 2.996 1.00 0.00 C ATOM 190 C VAL A 13 82.389 10.213 3.535 1.00 0.00 C ATOM 191 O VAL A 13 82.705 9.239 2.882 1.00 0.00 O ATOM 192 CB VAL A 13 83.914 12.213 3.466 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.046 11.243 3.126 1.00 0.00 C ATOM 194 CG2 VAL A 13 84.160 13.549 2.760 1.00 0.00 C ATOM 0 H VAL A 13 81.724 12.851 4.519 1.00 0.00 H new ATOM 0 HA VAL A 13 82.532 11.569 1.909 1.00 0.00 H new ATOM 0 HB VAL A 13 83.882 12.369 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.996 11.660 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.871 10.290 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.079 11.086 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 13 85.110 13.967 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.192 13.390 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.354 14.242 3.001 1.00 0.00 H new ATOM 204 N ARG A 14 81.860 10.092 4.721 1.00 0.00 N ATOM 205 CA ARG A 14 81.634 8.740 5.300 1.00 0.00 C ATOM 206 C ARG A 14 80.392 8.111 4.666 1.00 0.00 C ATOM 207 O ARG A 14 80.251 6.905 4.614 1.00 0.00 O ATOM 208 CB ARG A 14 81.413 8.978 6.794 1.00 0.00 C ATOM 209 CG ARG A 14 82.627 9.698 7.383 1.00 0.00 C ATOM 210 CD ARG A 14 82.260 10.290 8.746 1.00 0.00 C ATOM 211 NE ARG A 14 83.545 10.792 9.305 1.00 0.00 N ATOM 212 CZ ARG A 14 83.570 11.344 10.487 1.00 0.00 C ATOM 213 NH1 ARG A 14 82.612 11.103 11.341 1.00 0.00 N ATOM 214 NH2 ARG A 14 84.552 12.137 10.816 1.00 0.00 N ATOM 0 H ARG A 14 81.575 10.872 5.314 1.00 0.00 H new ATOM 0 HA ARG A 14 82.469 8.062 5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.514 9.574 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.258 8.028 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 14 83.459 9.002 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.957 10.488 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.532 11.095 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.814 9.538 9.396 1.00 0.00 H new ATOM 0 HE ARG A 14 84.405 10.705 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 14 81.844 10.483 11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 14 82.632 11.535 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.300 12.326 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 14 84.571 12.568 11.740 1.00 0.00 H new ATOM 228 N ALA A 15 79.490 8.922 4.183 1.00 0.00 N ATOM 229 CA ALA A 15 78.258 8.377 3.552 1.00 0.00 C ATOM 230 C ALA A 15 78.606 7.625 2.266 1.00 0.00 C ATOM 231 O ALA A 15 77.876 6.760 1.824 1.00 0.00 O ATOM 232 CB ALA A 15 77.398 9.602 3.238 1.00 0.00 C ATOM 0 H ALA A 15 79.555 9.940 4.199 1.00 0.00 H new ATOM 0 HA ALA A 15 77.742 7.670 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.467 9.283 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.174 10.136 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.939 10.262 2.560 1.00 0.00 H new ATOM 238 N ALA A 16 79.716 7.948 1.656 1.00 0.00 N ATOM 239 CA ALA A 16 80.102 7.249 0.396 1.00 0.00 C ATOM 240 C ALA A 16 80.607 5.837 0.692 1.00 0.00 C ATOM 241 O ALA A 16 81.006 5.112 -0.196 1.00 0.00 O ATOM 242 CB ALA A 16 81.212 8.105 -0.214 1.00 0.00 C ATOM 0 H ALA A 16 80.370 8.663 1.975 1.00 0.00 H new ATOM 0 HA ALA A 16 79.256 7.138 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.549 7.653 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 80.831 9.107 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.049 8.166 0.482 1.00 0.00 H new ATOM 248 N ARG A 17 80.576 5.435 1.928 1.00 0.00 N ATOM 249 CA ARG A 17 81.033 4.062 2.276 1.00 0.00 C ATOM 250 C ARG A 17 79.812 3.152 2.343 1.00 0.00 C ATOM 251 O ARG A 17 79.916 1.942 2.357 1.00 0.00 O ATOM 252 CB ARG A 17 81.680 4.163 3.663 1.00 0.00 C ATOM 253 CG ARG A 17 82.433 5.488 3.820 1.00 0.00 C ATOM 254 CD ARG A 17 83.874 5.319 3.333 1.00 0.00 C ATOM 255 NE ARG A 17 84.691 5.223 4.574 1.00 0.00 N ATOM 256 CZ ARG A 17 85.403 6.244 4.967 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.070 7.451 4.599 1.00 0.00 N ATOM 258 NH2 ARG A 17 86.446 6.058 5.729 1.00 0.00 N ATOM 0 H ARG A 17 80.254 5.998 2.715 1.00 0.00 H new ATOM 0 HA ARG A 17 81.735 3.661 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 80.913 4.083 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 17 82.367 3.330 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.935 6.271 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.425 5.801 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.981 4.424 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 84.185 6.165 2.720 1.00 0.00 H new ATOM 0 HE ARG A 17 84.694 4.360 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.254 7.596 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.626 8.249 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 17 86.705 5.115 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 17 87.002 6.856 6.036 1.00 0.00 H new ATOM 272 N THR A 18 78.650 3.741 2.397 1.00 0.00 N ATOM 273 CA THR A 18 77.402 2.929 2.478 1.00 0.00 C ATOM 274 C THR A 18 76.469 3.246 1.305 1.00 0.00 C ATOM 275 O THR A 18 76.255 4.390 0.958 1.00 0.00 O ATOM 276 CB THR A 18 76.752 3.340 3.800 1.00 0.00 C ATOM 277 OG1 THR A 18 77.594 2.957 4.879 1.00 0.00 O ATOM 278 CG2 THR A 18 75.394 2.652 3.941 1.00 0.00 C ATOM 0 H THR A 18 78.510 4.751 2.389 1.00 0.00 H new ATOM 0 HA THR A 18 77.609 1.860 2.431 1.00 0.00 H new ATOM 0 HB THR A 18 76.611 4.421 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.598 3.664 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 18 74.933 2.947 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 18 74.749 2.947 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.531 1.571 3.926 1.00 0.00 H new ATOM 286 N LEU A 19 75.906 2.235 0.702 1.00 0.00 N ATOM 287 CA LEU A 19 74.977 2.464 -0.440 1.00 0.00 C ATOM 288 C LEU A 19 73.642 1.768 -0.163 1.00 0.00 C ATOM 289 O LEU A 19 73.594 0.709 0.431 1.00 0.00 O ATOM 290 CB LEU A 19 75.671 1.845 -1.652 1.00 0.00 C ATOM 291 CG LEU A 19 75.798 0.337 -1.451 1.00 0.00 C ATOM 292 CD1 LEU A 19 74.612 -0.365 -2.112 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.102 -0.153 -2.085 1.00 0.00 C ATOM 0 H LEU A 19 76.050 1.257 0.952 1.00 0.00 H new ATOM 0 HA LEU A 19 74.763 3.521 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.101 2.055 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.657 2.289 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 19 75.806 0.110 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 74.701 -1.442 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 19 73.684 -0.015 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.604 -0.140 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.194 -1.230 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.095 0.072 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.947 0.349 -1.614 1.00 0.00 H new ATOM 305 N LEU A 20 72.558 2.360 -0.579 1.00 0.00 N ATOM 306 CA LEU A 20 71.225 1.739 -0.328 1.00 0.00 C ATOM 307 C LEU A 20 70.902 0.695 -1.403 1.00 0.00 C ATOM 308 O LEU A 20 70.709 1.019 -2.556 1.00 0.00 O ATOM 309 CB LEU A 20 70.233 2.904 -0.393 1.00 0.00 C ATOM 310 CG LEU A 20 68.854 2.444 0.091 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.194 1.583 -0.987 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.006 1.627 1.376 1.00 0.00 C ATOM 0 H LEU A 20 72.536 3.247 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 20 71.188 1.219 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.588 3.730 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.163 3.277 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 20 68.232 3.317 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.213 1.256 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.081 2.167 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.817 0.711 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.024 1.301 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.630 0.755 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.472 2.242 2.145 1.00 0.00 H new ATOM 324 N ALA A 21 70.829 -0.554 -1.031 1.00 0.00 N ATOM 325 CA ALA A 21 70.505 -1.609 -2.032 1.00 0.00 C ATOM 326 C ALA A 21 69.004 -1.587 -2.333 1.00 0.00 C ATOM 327 O ALA A 21 68.187 -1.472 -1.441 1.00 0.00 O ATOM 328 CB ALA A 21 70.902 -2.926 -1.367 1.00 0.00 C ATOM 0 H ALA A 21 70.979 -0.889 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 21 71.027 -1.464 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.693 -3.753 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.966 -2.909 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.330 -3.056 -0.448 1.00 0.00 H new ATOM 334 N LYS A 22 68.631 -1.687 -3.578 1.00 0.00 N ATOM 335 CA LYS A 22 67.181 -1.662 -3.920 1.00 0.00 C ATOM 336 C LYS A 22 66.868 -2.697 -5.002 1.00 0.00 C ATOM 337 O LYS A 22 67.732 -3.420 -5.455 1.00 0.00 O ATOM 338 CB LYS A 22 66.922 -0.249 -4.441 1.00 0.00 C ATOM 339 CG LYS A 22 65.419 0.036 -4.420 1.00 0.00 C ATOM 340 CD LYS A 22 65.187 1.534 -4.208 1.00 0.00 C ATOM 341 CE LYS A 22 63.778 1.758 -3.651 1.00 0.00 C ATOM 342 NZ LYS A 22 63.072 2.545 -4.700 1.00 0.00 N ATOM 0 H LYS A 22 69.265 -1.785 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 22 66.553 -1.904 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.450 0.479 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.308 -0.148 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.964 -0.284 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.941 -0.533 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.930 1.934 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.306 2.068 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.273 0.811 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.808 2.299 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.046 2.400 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.290 3.555 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.386 2.231 -5.640 1.00 0.00 H new ATOM 356 N ASN A 23 65.633 -2.771 -5.418 1.00 0.00 N ATOM 357 CA ASN A 23 65.255 -3.756 -6.471 1.00 0.00 C ATOM 358 C ASN A 23 65.400 -5.183 -5.938 1.00 0.00 C ATOM 359 O ASN A 23 65.403 -6.139 -6.687 1.00 0.00 O ATOM 360 CB ASN A 23 66.236 -3.510 -7.618 1.00 0.00 C ATOM 361 CG ASN A 23 65.660 -4.087 -8.912 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.601 -3.686 -9.352 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.319 -5.017 -9.547 1.00 0.00 N ATOM 0 H ASN A 23 64.868 -2.191 -5.073 1.00 0.00 H new ATOM 0 HA ASN A 23 64.219 -3.640 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.418 -2.441 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.197 -3.975 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.945 -5.407 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.208 -5.354 -9.178 1.00 0.00 H new ATOM 370 N LEU A 24 65.520 -5.335 -4.648 1.00 0.00 N ATOM 371 CA LEU A 24 65.663 -6.701 -4.070 1.00 0.00 C ATOM 372 C LEU A 24 64.331 -7.451 -4.153 1.00 0.00 C ATOM 373 O LEU A 24 63.461 -7.107 -4.928 1.00 0.00 O ATOM 374 CB LEU A 24 66.057 -6.478 -2.609 1.00 0.00 C ATOM 375 CG LEU A 24 67.465 -5.883 -2.541 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.555 -4.915 -1.360 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.484 -7.009 -2.352 1.00 0.00 C ATOM 0 H LEU A 24 65.525 -4.573 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 24 66.402 -7.298 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.345 -5.808 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.024 -7.422 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 24 67.678 -5.348 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.558 -4.492 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.829 -4.113 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.342 -5.450 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.488 -6.587 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.269 -7.542 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.422 -7.701 -3.192 1.00 0.00 H new ATOM 389 N SER A 25 64.165 -8.472 -3.357 1.00 0.00 N ATOM 390 CA SER A 25 62.889 -9.241 -3.388 1.00 0.00 C ATOM 391 C SER A 25 62.406 -9.515 -1.962 1.00 0.00 C ATOM 392 O SER A 25 63.053 -9.158 -0.998 1.00 0.00 O ATOM 393 CB SER A 25 63.231 -10.549 -4.099 1.00 0.00 C ATOM 394 OG SER A 25 63.150 -10.356 -5.505 1.00 0.00 O ATOM 0 H SER A 25 64.858 -8.807 -2.687 1.00 0.00 H new ATOM 0 HA SER A 25 62.091 -8.699 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.234 -10.875 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 25 62.543 -11.335 -3.788 1.00 0.00 H new ATOM 0 HG SER A 25 62.812 -11.173 -5.928 1.00 0.00 H new ATOM 400 N PHE A 26 61.274 -10.146 -1.821 1.00 0.00 N ATOM 401 CA PHE A 26 60.749 -10.445 -0.464 1.00 0.00 C ATOM 402 C PHE A 26 61.471 -11.658 0.127 1.00 0.00 C ATOM 403 O PHE A 26 61.285 -12.006 1.277 1.00 0.00 O ATOM 404 CB PHE A 26 59.272 -10.760 -0.691 1.00 0.00 C ATOM 405 CG PHE A 26 58.436 -9.540 -0.390 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.491 -8.427 -1.238 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.602 -9.522 0.736 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.713 -7.297 -0.962 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.824 -8.390 1.012 1.00 0.00 C ATOM 410 CZ PHE A 26 56.880 -7.278 0.163 1.00 0.00 C ATOM 0 H PHE A 26 60.689 -10.468 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 26 60.896 -9.621 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.113 -11.076 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.965 -11.589 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.134 -8.441 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.559 -10.380 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.755 -6.439 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.181 -8.375 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.280 -6.405 0.376 1.00 0.00 H new ATOM 420 N ASN A 27 62.289 -12.310 -0.655 1.00 0.00 N ATOM 421 CA ASN A 27 63.015 -13.503 -0.148 1.00 0.00 C ATOM 422 C ASN A 27 64.453 -13.140 0.232 1.00 0.00 C ATOM 423 O ASN A 27 64.930 -13.490 1.294 1.00 0.00 O ATOM 424 CB ASN A 27 63.001 -14.496 -1.310 1.00 0.00 C ATOM 425 CG ASN A 27 64.017 -15.609 -1.042 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.999 -16.226 0.004 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.909 -15.893 -1.952 1.00 0.00 N ATOM 0 H ASN A 27 62.484 -12.065 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 27 62.551 -13.913 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.004 -14.920 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.243 -13.985 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 27 65.591 -16.633 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.924 -15.375 -2.830 1.00 0.00 H new ATOM 434 N ILE A 28 65.153 -12.450 -0.627 1.00 0.00 N ATOM 435 CA ILE A 28 66.562 -12.082 -0.306 1.00 0.00 C ATOM 436 C ILE A 28 66.633 -11.373 1.048 1.00 0.00 C ATOM 437 O ILE A 28 65.638 -10.909 1.570 1.00 0.00 O ATOM 438 CB ILE A 28 67.007 -11.147 -1.432 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.535 -11.044 -1.431 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.408 -9.756 -1.224 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.029 -10.786 -2.855 1.00 0.00 C ATOM 0 H ILE A 28 64.813 -12.127 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 28 67.206 -12.959 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 28 66.663 -11.547 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.855 -10.237 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.972 -11.965 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.730 -9.097 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.320 -9.825 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.746 -9.353 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.117 -10.713 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.721 -11.608 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.602 -9.854 -3.225 1.00 0.00 H new ATOM 453 N THR A 29 67.802 -11.292 1.622 1.00 0.00 N ATOM 454 CA THR A 29 67.937 -10.617 2.947 1.00 0.00 C ATOM 455 C THR A 29 69.387 -10.191 3.187 1.00 0.00 C ATOM 456 O THR A 29 70.242 -10.342 2.334 1.00 0.00 O ATOM 457 CB THR A 29 67.523 -11.676 3.970 1.00 0.00 C ATOM 458 OG1 THR A 29 68.177 -12.901 3.669 1.00 0.00 O ATOM 459 CG2 THR A 29 66.008 -11.876 3.920 1.00 0.00 C ATOM 0 H THR A 29 68.669 -11.663 1.233 1.00 0.00 H new ATOM 0 HA THR A 29 67.327 -9.716 3.011 1.00 0.00 H new ATOM 0 HB THR A 29 67.807 -11.347 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.915 -13.581 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.716 -12.631 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.509 -10.935 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.717 -12.205 2.922 1.00 0.00 H new ATOM 467 N GLU A 30 69.673 -9.663 4.347 1.00 0.00 N ATOM 468 CA GLU A 30 71.068 -9.235 4.646 1.00 0.00 C ATOM 469 C GLU A 30 72.030 -10.384 4.351 1.00 0.00 C ATOM 470 O GLU A 30 73.133 -10.183 3.885 1.00 0.00 O ATOM 471 CB GLU A 30 71.074 -8.897 6.137 1.00 0.00 C ATOM 472 CG GLU A 30 72.509 -8.627 6.594 1.00 0.00 C ATOM 473 CD GLU A 30 72.508 -7.534 7.664 1.00 0.00 C ATOM 474 OE1 GLU A 30 71.464 -7.312 8.255 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.552 -6.939 7.874 1.00 0.00 O ATOM 0 H GLU A 30 69.001 -9.510 5.099 1.00 0.00 H new ATOM 0 HA GLU A 30 71.383 -8.384 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.451 -8.023 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.648 -9.721 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.953 -9.540 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.120 -8.319 5.746 1.00 0.00 H new ATOM 482 N ASP A 31 71.612 -11.590 4.611 1.00 0.00 N ATOM 483 CA ASP A 31 72.494 -12.758 4.337 1.00 0.00 C ATOM 484 C ASP A 31 72.926 -12.735 2.872 1.00 0.00 C ATOM 485 O ASP A 31 74.100 -12.743 2.557 1.00 0.00 O ATOM 486 CB ASP A 31 71.630 -13.987 4.626 1.00 0.00 C ATOM 487 CG ASP A 31 72.166 -14.710 5.861 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.253 -15.259 5.777 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.482 -14.703 6.872 1.00 0.00 O ATOM 0 H ASP A 31 70.698 -11.818 5.001 1.00 0.00 H new ATOM 0 HA ASP A 31 73.399 -12.754 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.595 -13.687 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.636 -14.659 3.768 1.00 0.00 H new ATOM 494 N GLU A 32 71.982 -12.693 1.978 1.00 0.00 N ATOM 495 CA GLU A 32 72.330 -12.655 0.530 1.00 0.00 C ATOM 496 C GLU A 32 73.035 -11.338 0.205 1.00 0.00 C ATOM 497 O GLU A 32 73.872 -11.266 -0.675 1.00 0.00 O ATOM 498 CB GLU A 32 70.994 -12.756 -0.205 1.00 0.00 C ATOM 499 CG GLU A 32 70.539 -14.215 -0.230 1.00 0.00 C ATOM 500 CD GLU A 32 69.070 -14.289 -0.648 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.778 -13.939 -1.779 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.262 -14.696 0.171 1.00 0.00 O ATOM 0 H GLU A 32 70.983 -12.683 2.185 1.00 0.00 H new ATOM 0 HA GLU A 32 73.006 -13.459 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.245 -12.138 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.096 -12.378 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.154 -14.786 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.670 -14.664 0.755 1.00 0.00 H new ATOM 509 N LEU A 33 72.724 -10.302 0.932 1.00 0.00 N ATOM 510 CA LEU A 33 73.395 -9.002 0.685 1.00 0.00 C ATOM 511 C LEU A 33 74.817 -9.103 1.214 1.00 0.00 C ATOM 512 O LEU A 33 75.769 -8.719 0.564 1.00 0.00 O ATOM 513 CB LEU A 33 72.591 -7.971 1.477 1.00 0.00 C ATOM 514 CG LEU A 33 71.360 -7.555 0.670 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.109 -7.692 1.539 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.512 -6.099 0.224 1.00 0.00 C ATOM 0 H LEU A 33 72.035 -10.302 1.684 1.00 0.00 H new ATOM 0 HA LEU A 33 73.439 -8.728 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.286 -8.390 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.209 -7.100 1.693 1.00 0.00 H new ATOM 0 HG LEU A 33 71.266 -8.197 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.232 -7.395 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.000 -8.728 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.202 -7.050 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.635 -5.801 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.606 -5.458 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.403 -5.999 -0.395 1.00 0.00 H new ATOM 528 N LYS A 34 74.968 -9.652 2.386 1.00 0.00 N ATOM 529 CA LYS A 34 76.326 -9.813 2.949 1.00 0.00 C ATOM 530 C LYS A 34 77.066 -10.878 2.146 1.00 0.00 C ATOM 531 O LYS A 34 78.279 -10.923 2.106 1.00 0.00 O ATOM 532 CB LYS A 34 76.117 -10.262 4.396 1.00 0.00 C ATOM 533 CG LYS A 34 77.476 -10.471 5.067 1.00 0.00 C ATOM 534 CD LYS A 34 77.852 -9.219 5.859 1.00 0.00 C ATOM 535 CE LYS A 34 77.158 -9.250 7.223 1.00 0.00 C ATOM 536 NZ LYS A 34 78.174 -8.737 8.183 1.00 0.00 N ATOM 0 H LYS A 34 74.208 -9.994 2.974 1.00 0.00 H new ATOM 0 HA LYS A 34 76.917 -8.898 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.542 -9.513 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.541 -11.187 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.437 -11.335 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.236 -10.680 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.933 -9.170 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.557 -8.325 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 34 76.263 -8.628 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 34 76.844 -10.261 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.772 -8.728 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.012 -9.353 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.449 -7.771 7.914 1.00 0.00 H new ATOM 550 N GLU A 35 76.325 -11.723 1.493 1.00 0.00 N ATOM 551 CA GLU A 35 76.943 -12.788 0.665 1.00 0.00 C ATOM 552 C GLU A 35 77.264 -12.231 -0.722 1.00 0.00 C ATOM 553 O GLU A 35 78.183 -12.671 -1.384 1.00 0.00 O ATOM 554 CB GLU A 35 75.885 -13.888 0.575 1.00 0.00 C ATOM 555 CG GLU A 35 76.373 -14.991 -0.367 1.00 0.00 C ATOM 556 CD GLU A 35 77.477 -15.797 0.319 1.00 0.00 C ATOM 557 OE1 GLU A 35 77.221 -16.326 1.387 1.00 0.00 O ATOM 558 OE2 GLU A 35 78.560 -15.873 -0.237 1.00 0.00 O ATOM 0 H GLU A 35 75.305 -11.721 1.498 1.00 0.00 H new ATOM 0 HA GLU A 35 77.875 -13.164 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.689 -14.301 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.945 -13.474 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.545 -15.646 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.749 -14.554 -1.292 1.00 0.00 H new ATOM 565 N VAL A 36 76.519 -11.250 -1.159 1.00 0.00 N ATOM 566 CA VAL A 36 76.785 -10.648 -2.492 1.00 0.00 C ATOM 567 C VAL A 36 77.952 -9.672 -2.366 1.00 0.00 C ATOM 568 O VAL A 36 78.800 -9.581 -3.230 1.00 0.00 O ATOM 569 CB VAL A 36 75.495 -9.907 -2.861 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.791 -8.844 -3.924 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.476 -10.905 -3.414 1.00 0.00 C ATOM 0 H VAL A 36 75.737 -10.841 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 36 77.048 -11.385 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 36 75.092 -9.424 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.870 -8.321 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.516 -8.130 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.198 -9.323 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.558 -10.380 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.885 -11.388 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.258 -11.659 -2.658 1.00 0.00 H new ATOM 581 N PHE A 37 77.993 -8.940 -1.289 1.00 0.00 N ATOM 582 CA PHE A 37 79.090 -7.972 -1.091 1.00 0.00 C ATOM 583 C PHE A 37 80.241 -8.628 -0.330 1.00 0.00 C ATOM 584 O PHE A 37 81.396 -8.481 -0.678 1.00 0.00 O ATOM 585 CB PHE A 37 78.455 -6.853 -0.273 1.00 0.00 C ATOM 586 CG PHE A 37 77.175 -6.413 -0.940 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.159 -6.139 -2.314 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.003 -6.280 -0.188 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.972 -5.733 -2.932 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.815 -5.874 -0.806 1.00 0.00 C ATOM 591 CZ PHE A 37 74.799 -5.601 -2.179 1.00 0.00 C ATOM 0 H PHE A 37 77.306 -8.976 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 37 79.512 -7.607 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.250 -7.199 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 37 79.143 -6.012 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.063 -6.241 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.015 -6.491 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.960 -5.521 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.911 -5.771 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.882 -5.289 -2.657 1.00 0.00 H new ATOM 601 N GLU A 38 79.923 -9.355 0.700 1.00 0.00 N ATOM 602 CA GLU A 38 80.978 -10.044 1.503 1.00 0.00 C ATOM 603 C GLU A 38 82.223 -9.162 1.634 1.00 0.00 C ATOM 604 O GLU A 38 83.331 -9.651 1.734 1.00 0.00 O ATOM 605 CB GLU A 38 81.303 -11.315 0.718 1.00 0.00 C ATOM 606 CG GLU A 38 82.349 -12.133 1.480 1.00 0.00 C ATOM 607 CD GLU A 38 82.264 -13.598 1.051 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.165 -14.128 1.037 1.00 0.00 O ATOM 609 OE2 GLU A 38 83.299 -14.168 0.743 1.00 0.00 O ATOM 0 H GLU A 38 78.969 -9.506 1.027 1.00 0.00 H new ATOM 0 HA GLU A 38 80.642 -10.260 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.399 -11.906 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.678 -11.057 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.347 -11.742 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.181 -12.047 2.554 1.00 0.00 H new ATOM 616 N ASP A 39 82.053 -7.869 1.634 1.00 0.00 N ATOM 617 CA ASP A 39 83.234 -6.965 1.756 1.00 0.00 C ATOM 618 C ASP A 39 82.816 -5.622 2.357 1.00 0.00 C ATOM 619 O ASP A 39 83.502 -4.629 2.219 1.00 0.00 O ATOM 620 CB ASP A 39 83.739 -6.778 0.326 1.00 0.00 C ATOM 621 CG ASP A 39 85.257 -6.591 0.342 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.694 -5.462 0.488 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.957 -7.582 0.208 1.00 0.00 O ATOM 0 H ASP A 39 81.151 -7.399 1.555 1.00 0.00 H new ATOM 0 HA ASP A 39 84.002 -7.378 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.475 -7.644 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.260 -5.912 -0.130 1.00 0.00 H new ATOM 628 N ALA A 40 81.694 -5.582 3.023 1.00 0.00 N ATOM 629 CA ALA A 40 81.237 -4.299 3.630 1.00 0.00 C ATOM 630 C ALA A 40 81.079 -4.457 5.145 1.00 0.00 C ATOM 631 O ALA A 40 81.282 -5.524 5.691 1.00 0.00 O ATOM 632 CB ALA A 40 79.885 -4.012 2.974 1.00 0.00 C ATOM 0 H ALA A 40 81.076 -6.379 3.173 1.00 0.00 H new ATOM 0 HA ALA A 40 81.948 -3.488 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.480 -3.080 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.015 -3.923 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.195 -4.828 3.190 1.00 0.00 H new ATOM 638 N LEU A 41 80.716 -3.405 5.829 1.00 0.00 N ATOM 639 CA LEU A 41 80.545 -3.503 7.303 1.00 0.00 C ATOM 640 C LEU A 41 79.289 -4.300 7.626 1.00 0.00 C ATOM 641 O LEU A 41 79.282 -5.144 8.499 1.00 0.00 O ATOM 642 CB LEU A 41 80.380 -2.064 7.795 1.00 0.00 C ATOM 643 CG LEU A 41 81.502 -1.196 7.240 1.00 0.00 C ATOM 644 CD1 LEU A 41 81.461 0.177 7.912 1.00 0.00 C ATOM 645 CD2 LEU A 41 82.848 -1.865 7.520 1.00 0.00 C ATOM 0 H LEU A 41 80.531 -2.485 5.430 1.00 0.00 H new ATOM 0 HA LEU A 41 81.391 -4.002 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.414 -1.671 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 41 80.394 -2.039 8.885 1.00 0.00 H new ATOM 0 HG LEU A 41 81.374 -1.077 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.263 0.800 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 41 80.500 0.652 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.590 0.059 8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 41 83.652 -1.245 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 82.978 -1.984 8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 41 82.875 -2.844 7.041 1.00 0.00 H new ATOM 657 N GLU A 42 78.223 -4.029 6.927 1.00 0.00 N ATOM 658 CA GLU A 42 76.953 -4.762 7.201 1.00 0.00 C ATOM 659 C GLU A 42 75.840 -4.308 6.252 1.00 0.00 C ATOM 660 O GLU A 42 75.962 -3.318 5.557 1.00 0.00 O ATOM 661 CB GLU A 42 76.599 -4.404 8.648 1.00 0.00 C ATOM 662 CG GLU A 42 76.044 -2.978 8.704 1.00 0.00 C ATOM 663 CD GLU A 42 76.094 -2.468 10.146 1.00 0.00 C ATOM 664 OE1 GLU A 42 77.181 -2.413 10.697 1.00 0.00 O ATOM 665 OE2 GLU A 42 75.044 -2.142 10.675 1.00 0.00 O ATOM 0 H GLU A 42 78.174 -3.335 6.181 1.00 0.00 H new ATOM 0 HA GLU A 42 77.065 -5.836 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 42 75.863 -5.107 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.483 -4.486 9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 42 76.626 -2.324 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.018 -2.961 8.336 1.00 0.00 H new ATOM 672 N ILE A 43 74.752 -5.028 6.230 1.00 0.00 N ATOM 673 CA ILE A 43 73.615 -4.653 5.338 1.00 0.00 C ATOM 674 C ILE A 43 72.387 -4.297 6.180 1.00 0.00 C ATOM 675 O ILE A 43 72.144 -4.881 7.218 1.00 0.00 O ATOM 676 CB ILE A 43 73.332 -5.897 4.490 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.650 -6.569 4.091 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.572 -5.489 3.227 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.617 -5.516 3.553 1.00 0.00 C ATOM 0 H ILE A 43 74.600 -5.864 6.794 1.00 0.00 H new ATOM 0 HA ILE A 43 73.850 -3.787 4.719 1.00 0.00 H new ATOM 0 HB ILE A 43 72.733 -6.597 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.088 -7.074 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 43 74.467 -7.331 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.370 -6.373 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.630 -5.017 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.174 -4.786 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.555 -5.994 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.178 -5.031 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.809 -4.770 4.325 1.00 0.00 H new ATOM 691 N ARG A 44 71.610 -3.344 5.745 1.00 0.00 N ATOM 692 CA ARG A 44 70.398 -2.955 6.523 1.00 0.00 C ATOM 693 C ARG A 44 69.149 -3.058 5.644 1.00 0.00 C ATOM 694 O ARG A 44 68.677 -2.077 5.110 1.00 0.00 O ATOM 695 CB ARG A 44 70.646 -1.505 6.939 1.00 0.00 C ATOM 696 CG ARG A 44 71.214 -1.472 8.359 1.00 0.00 C ATOM 697 CD ARG A 44 70.425 -0.465 9.202 1.00 0.00 C ATOM 698 NE ARG A 44 71.444 0.197 10.062 1.00 0.00 N ATOM 699 CZ ARG A 44 71.102 0.677 11.227 1.00 0.00 C ATOM 700 NH1 ARG A 44 70.177 1.594 11.309 1.00 0.00 N ATOM 701 NH2 ARG A 44 71.683 0.239 12.310 1.00 0.00 N ATOM 0 H ARG A 44 71.761 -2.817 4.885 1.00 0.00 H new ATOM 0 HA ARG A 44 70.232 -3.603 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.341 -1.031 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.716 -0.939 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.156 -2.463 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.268 -1.195 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.909 0.259 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.664 -0.963 9.803 1.00 0.00 H new ATOM 0 HE ARG A 44 72.409 0.276 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 44 69.721 1.936 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 44 69.910 1.969 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 44 72.405 -0.479 12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 44 71.415 0.614 13.220 1.00 0.00 H new ATOM 715 N LEU A 45 68.613 -4.240 5.496 1.00 0.00 N ATOM 716 CA LEU A 45 67.396 -4.421 4.655 1.00 0.00 C ATOM 717 C LEU A 45 66.326 -3.408 5.056 1.00 0.00 C ATOM 718 O LEU A 45 66.227 -3.022 6.204 1.00 0.00 O ATOM 719 CB LEU A 45 66.918 -5.844 4.954 1.00 0.00 C ATOM 720 CG LEU A 45 66.890 -6.665 3.662 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.097 -7.951 3.897 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.221 -5.854 2.551 1.00 0.00 C ATOM 0 H LEU A 45 68.970 -5.094 5.925 1.00 0.00 H new ATOM 0 HA LEU A 45 67.600 -4.271 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.581 -6.315 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.924 -5.817 5.400 1.00 0.00 H new ATOM 0 HG LEU A 45 67.910 -6.910 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.075 -8.538 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.572 -8.532 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.078 -7.701 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.203 -6.441 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.201 -5.607 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.782 -4.935 2.383 1.00 0.00 H new ATOM 734 N VAL A 46 65.527 -2.967 4.125 1.00 0.00 N ATOM 735 CA VAL A 46 64.478 -1.973 4.474 1.00 0.00 C ATOM 736 C VAL A 46 63.244 -2.138 3.580 1.00 0.00 C ATOM 737 O VAL A 46 63.327 -2.565 2.432 1.00 0.00 O ATOM 738 CB VAL A 46 65.119 -0.603 4.252 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.409 0.425 5.127 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.604 -0.651 4.632 1.00 0.00 C ATOM 0 H VAL A 46 65.555 -3.250 3.145 1.00 0.00 H new ATOM 0 HA VAL A 46 64.137 -2.101 5.501 1.00 0.00 H new ATOM 0 HB VAL A 46 65.028 -0.327 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.860 1.406 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.354 0.465 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.505 0.140 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.053 0.329 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.702 -0.927 5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.114 -1.390 4.014 1.00 0.00 H new ATOM 750 N SER A 47 62.099 -1.799 4.117 1.00 0.00 N ATOM 751 CA SER A 47 60.826 -1.916 3.354 1.00 0.00 C ATOM 752 C SER A 47 60.098 -0.571 3.323 1.00 0.00 C ATOM 753 O SER A 47 60.686 0.471 3.529 1.00 0.00 O ATOM 754 CB SER A 47 60.010 -2.946 4.129 1.00 0.00 C ATOM 755 OG SER A 47 59.405 -2.318 5.251 1.00 0.00 O ATOM 0 H SER A 47 61.995 -1.441 5.066 1.00 0.00 H new ATOM 0 HA SER A 47 60.987 -2.209 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.246 -3.381 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.652 -3.763 4.458 1.00 0.00 H new ATOM 0 HG SER A 47 58.878 -2.977 5.750 1.00 0.00 H new ATOM 761 N GLN A 48 58.816 -0.587 3.067 1.00 0.00 N ATOM 762 CA GLN A 48 58.048 0.691 3.024 1.00 0.00 C ATOM 763 C GLN A 48 57.531 1.044 4.421 1.00 0.00 C ATOM 764 O GLN A 48 56.484 1.641 4.573 1.00 0.00 O ATOM 765 CB GLN A 48 56.882 0.420 2.072 1.00 0.00 C ATOM 766 CG GLN A 48 56.023 -0.717 2.628 1.00 0.00 C ATOM 767 CD GLN A 48 54.549 -0.309 2.590 1.00 0.00 C ATOM 768 OE1 GLN A 48 53.819 -0.706 1.702 1.00 0.00 O ATOM 769 NE2 GLN A 48 54.076 0.472 3.522 1.00 0.00 N ATOM 0 H GLN A 48 58.269 -1.429 2.886 1.00 0.00 H new ATOM 0 HA GLN A 48 58.659 1.530 2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.279 1.320 1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 48 57.259 0.155 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.176 -1.623 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.322 -0.946 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 48 54.688 0.805 4.267 1.00 0.00 H new ATOM 0 HE22 GLN A 48 53.095 0.749 3.506 1.00 0.00 H new ATOM 778 N ASP A 49 58.262 0.682 5.442 1.00 0.00 N ATOM 779 CA ASP A 49 57.821 0.997 6.835 1.00 0.00 C ATOM 780 C ASP A 49 56.616 0.136 7.228 1.00 0.00 C ATOM 781 O ASP A 49 56.086 0.258 8.314 1.00 0.00 O ATOM 782 CB ASP A 49 57.437 2.478 6.813 1.00 0.00 C ATOM 783 CG ASP A 49 57.697 3.095 8.188 1.00 0.00 C ATOM 784 OD1 ASP A 49 56.968 2.767 9.109 1.00 0.00 O ATOM 785 OD2 ASP A 49 58.619 3.886 8.295 1.00 0.00 O ATOM 0 H ASP A 49 59.148 0.181 5.372 1.00 0.00 H new ATOM 0 HA ASP A 49 58.605 0.791 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 58.015 3.003 6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 49 56.386 2.588 6.547 1.00 0.00 H new ATOM 790 N GLY A 50 56.178 -0.734 6.359 1.00 0.00 N ATOM 791 CA GLY A 50 55.008 -1.594 6.699 1.00 0.00 C ATOM 792 C GLY A 50 54.839 -2.697 5.651 1.00 0.00 C ATOM 793 O GLY A 50 53.761 -3.224 5.465 1.00 0.00 O ATOM 0 H GLY A 50 56.577 -0.886 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 50 55.148 -2.038 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.104 -0.987 6.748 1.00 0.00 H new ATOM 797 N LYS A 51 55.893 -3.057 4.966 1.00 0.00 N ATOM 798 CA LYS A 51 55.784 -4.130 3.935 1.00 0.00 C ATOM 799 C LYS A 51 57.093 -4.216 3.155 1.00 0.00 C ATOM 800 O LYS A 51 57.462 -3.292 2.457 1.00 0.00 O ATOM 801 CB LYS A 51 54.633 -3.696 3.022 1.00 0.00 C ATOM 802 CG LYS A 51 54.722 -4.444 1.690 1.00 0.00 C ATOM 803 CD LYS A 51 53.316 -4.630 1.112 1.00 0.00 C ATOM 804 CE LYS A 51 53.093 -6.104 0.771 1.00 0.00 C ATOM 805 NZ LYS A 51 51.685 -6.179 0.291 1.00 0.00 N ATOM 0 H LYS A 51 56.824 -2.654 5.076 1.00 0.00 H new ATOM 0 HA LYS A 51 55.598 -5.113 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 51 53.677 -3.902 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 51 54.678 -2.621 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 51 55.344 -3.887 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.197 -5.414 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.569 -4.296 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.195 -4.017 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.790 -6.442 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.247 -6.739 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.457 -7.161 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.044 -5.858 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 51.570 -5.570 -0.544 1.00 0.00 H new ATOM 819 N SER A 52 57.798 -5.314 3.281 1.00 0.00 N ATOM 820 CA SER A 52 59.097 -5.470 2.560 1.00 0.00 C ATOM 821 C SER A 52 59.050 -4.766 1.206 1.00 0.00 C ATOM 822 O SER A 52 58.125 -4.932 0.435 1.00 0.00 O ATOM 823 CB SER A 52 59.276 -6.971 2.375 1.00 0.00 C ATOM 824 OG SER A 52 60.663 -7.285 2.388 1.00 0.00 O ATOM 0 H SER A 52 57.527 -6.112 3.856 1.00 0.00 H new ATOM 0 HA SER A 52 59.924 -5.026 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.762 -7.511 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.828 -7.289 1.433 1.00 0.00 H new ATOM 0 HG SER A 52 60.781 -8.251 2.271 1.00 0.00 H new ATOM 830 N LYS A 53 60.044 -3.982 0.915 1.00 0.00 N ATOM 831 CA LYS A 53 60.072 -3.259 -0.386 1.00 0.00 C ATOM 832 C LYS A 53 61.289 -3.707 -1.188 1.00 0.00 C ATOM 833 O LYS A 53 61.393 -3.462 -2.373 1.00 0.00 O ATOM 834 CB LYS A 53 60.179 -1.779 -0.019 1.00 0.00 C ATOM 835 CG LYS A 53 59.267 -0.957 -0.932 1.00 0.00 C ATOM 836 CD LYS A 53 60.120 -0.162 -1.923 1.00 0.00 C ATOM 837 CE LYS A 53 59.712 1.312 -1.882 1.00 0.00 C ATOM 838 NZ LYS A 53 60.955 2.064 -2.210 1.00 0.00 N ATOM 0 H LYS A 53 60.844 -3.808 1.524 1.00 0.00 H new ATOM 0 HA LYS A 53 59.190 -3.455 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.896 -1.631 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.211 -1.442 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.584 -1.615 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.655 -0.279 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.176 -0.265 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.990 -0.558 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.921 1.523 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.331 1.589 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.180 2.719 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.741 1.396 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.813 2.604 -3.088 1.00 0.00 H new ATOM 852 N GLY A 54 62.207 -4.372 -0.547 1.00 0.00 N ATOM 853 CA GLY A 54 63.416 -4.848 -1.263 1.00 0.00 C ATOM 854 C GLY A 54 64.531 -3.809 -1.150 1.00 0.00 C ATOM 855 O GLY A 54 65.380 -3.710 -2.013 1.00 0.00 O ATOM 0 H GLY A 54 62.170 -4.606 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.748 -5.797 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.180 -5.029 -2.312 1.00 0.00 H new ATOM 859 N ILE A 55 64.555 -3.035 -0.095 1.00 0.00 N ATOM 860 CA ILE A 55 65.644 -2.028 0.034 1.00 0.00 C ATOM 861 C ILE A 55 66.628 -2.487 1.109 1.00 0.00 C ATOM 862 O ILE A 55 66.324 -3.356 1.898 1.00 0.00 O ATOM 863 CB ILE A 55 64.949 -0.727 0.437 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.678 -0.546 -0.397 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.890 0.451 0.182 1.00 0.00 C ATOM 866 CD1 ILE A 55 62.901 0.670 0.114 1.00 0.00 C ATOM 0 H ILE A 55 63.879 -3.057 0.669 1.00 0.00 H new ATOM 0 HA ILE A 55 66.211 -1.896 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 55 64.689 -0.768 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.936 -0.411 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.058 -1.440 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.396 1.380 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.798 0.326 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.147 0.489 -0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 55 61.996 0.799 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.631 0.516 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.522 1.561 0.027 1.00 0.00 H new ATOM 878 N ALA A 56 67.806 -1.933 1.142 1.00 0.00 N ATOM 879 CA ALA A 56 68.787 -2.375 2.173 1.00 0.00 C ATOM 880 C ALA A 56 69.943 -1.378 2.292 1.00 0.00 C ATOM 881 O ALA A 56 70.611 -1.070 1.327 1.00 0.00 O ATOM 882 CB ALA A 56 69.300 -3.726 1.673 1.00 0.00 C ATOM 0 H ALA A 56 68.131 -1.202 0.509 1.00 0.00 H new ATOM 0 HA ALA A 56 68.333 -2.442 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.030 -4.122 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.466 -4.422 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.770 -3.598 0.698 1.00 0.00 H new ATOM 888 N TYR A 57 70.195 -0.885 3.475 1.00 0.00 N ATOM 889 CA TYR A 57 71.321 0.075 3.654 1.00 0.00 C ATOM 890 C TYR A 57 72.626 -0.708 3.803 1.00 0.00 C ATOM 891 O TYR A 57 72.909 -1.272 4.842 1.00 0.00 O ATOM 892 CB TYR A 57 70.996 0.844 4.935 1.00 0.00 C ATOM 893 CG TYR A 57 70.527 2.235 4.580 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.373 3.099 3.873 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.249 2.661 4.958 1.00 0.00 C ATOM 896 CE1 TYR A 57 70.938 4.388 3.543 1.00 0.00 C ATOM 897 CE2 TYR A 57 68.815 3.951 4.628 1.00 0.00 C ATOM 898 CZ TYR A 57 69.659 4.815 3.921 1.00 0.00 C ATOM 899 OH TYR A 57 69.232 6.085 3.596 1.00 0.00 O ATOM 0 H TYR A 57 69.671 -1.105 4.322 1.00 0.00 H new ATOM 0 HA TYR A 57 71.440 0.753 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.224 0.321 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 57 71.878 0.898 5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.360 2.771 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.597 1.995 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.589 5.054 2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 57 67.828 4.279 4.919 1.00 0.00 H new ATOM 0 HH TYR A 57 68.321 6.220 3.932 1.00 0.00 H new ATOM 909 N ILE A 58 73.412 -0.766 2.765 1.00 0.00 N ATOM 910 CA ILE A 58 74.686 -1.535 2.838 1.00 0.00 C ATOM 911 C ILE A 58 75.864 -0.612 3.160 1.00 0.00 C ATOM 912 O ILE A 58 76.234 0.237 2.375 1.00 0.00 O ATOM 913 CB ILE A 58 74.851 -2.148 1.446 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.508 -2.712 0.970 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.878 -3.278 1.505 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.665 -3.280 -0.441 1.00 0.00 C ATOM 0 H ILE A 58 73.228 -0.314 1.869 1.00 0.00 H new ATOM 0 HA ILE A 58 74.663 -2.290 3.624 1.00 0.00 H new ATOM 0 HB ILE A 58 75.191 -1.379 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.167 -3.491 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.750 -1.929 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 75.996 -3.715 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.836 -2.882 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.536 -4.044 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.710 -3.681 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.987 -2.489 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.410 -4.075 -0.432 1.00 0.00 H new ATOM 928 N GLU A 59 76.463 -0.783 4.308 1.00 0.00 N ATOM 929 CA GLU A 59 77.628 0.073 4.679 1.00 0.00 C ATOM 930 C GLU A 59 78.925 -0.691 4.412 1.00 0.00 C ATOM 931 O GLU A 59 79.160 -1.741 4.975 1.00 0.00 O ATOM 932 CB GLU A 59 77.468 0.347 6.176 1.00 0.00 C ATOM 933 CG GLU A 59 76.008 0.678 6.487 1.00 0.00 C ATOM 934 CD GLU A 59 75.927 2.049 7.162 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.871 2.407 7.847 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.923 2.717 6.982 1.00 0.00 O ATOM 0 H GLU A 59 76.196 -1.478 5.005 1.00 0.00 H new ATOM 0 HA GLU A 59 77.666 0.999 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 59 77.784 -0.524 6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.110 1.176 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.421 0.678 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 59 75.582 -0.085 7.138 1.00 0.00 H new ATOM 943 N PHE A 60 79.771 -0.184 3.556 1.00 0.00 N ATOM 944 CA PHE A 60 81.040 -0.910 3.271 1.00 0.00 C ATOM 945 C PHE A 60 82.174 -0.375 4.141 1.00 0.00 C ATOM 946 O PHE A 60 82.016 0.577 4.878 1.00 0.00 O ATOM 947 CB PHE A 60 81.342 -0.657 1.795 1.00 0.00 C ATOM 948 CG PHE A 60 80.296 -1.333 0.942 1.00 0.00 C ATOM 949 CD1 PHE A 60 78.966 -0.900 0.988 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.659 -2.395 0.104 1.00 0.00 C ATOM 951 CE1 PHE A 60 77.999 -1.530 0.197 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.691 -3.024 -0.688 1.00 0.00 C ATOM 953 CZ PHE A 60 78.360 -2.592 -0.641 1.00 0.00 C ATOM 0 H PHE A 60 79.640 0.691 3.048 1.00 0.00 H new ATOM 0 HA PHE A 60 80.946 -1.974 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.353 0.414 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.332 -1.039 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.686 -0.080 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.686 -2.729 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.972 -1.197 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.971 -3.842 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.612 -3.078 -1.251 1.00 0.00 H new ATOM 963 N LYS A 61 83.314 -0.992 4.058 1.00 0.00 N ATOM 964 CA LYS A 61 84.475 -0.540 4.878 1.00 0.00 C ATOM 965 C LYS A 61 85.137 0.679 4.234 1.00 0.00 C ATOM 966 O LYS A 61 86.003 1.306 4.813 1.00 0.00 O ATOM 967 CB LYS A 61 85.437 -1.730 4.891 1.00 0.00 C ATOM 968 CG LYS A 61 86.047 -1.879 6.285 1.00 0.00 C ATOM 969 CD LYS A 61 85.944 -3.339 6.734 1.00 0.00 C ATOM 970 CE LYS A 61 85.790 -3.395 8.255 1.00 0.00 C ATOM 971 NZ LYS A 61 84.926 -4.581 8.510 1.00 0.00 N ATOM 0 H LYS A 61 83.497 -1.795 3.456 1.00 0.00 H new ATOM 0 HA LYS A 61 84.179 -0.243 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 61 84.908 -2.642 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.224 -1.582 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.090 -1.564 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 85.527 -1.232 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 61 85.092 -3.819 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.834 -3.889 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 86.757 -3.498 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 61 85.333 -2.483 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 84.774 -4.686 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 84.010 -4.451 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 85.390 -5.435 8.139 1.00 0.00 H new ATOM 985 N SER A 62 84.739 1.020 3.039 1.00 0.00 N ATOM 986 CA SER A 62 85.349 2.199 2.364 1.00 0.00 C ATOM 987 C SER A 62 84.696 2.429 1.000 1.00 0.00 C ATOM 988 O SER A 62 84.096 1.538 0.423 1.00 0.00 O ATOM 989 CB SER A 62 86.826 1.841 2.195 1.00 0.00 C ATOM 990 OG SER A 62 86.987 0.434 2.330 1.00 0.00 O ATOM 0 H SER A 62 84.020 0.535 2.503 1.00 0.00 H new ATOM 0 HA SER A 62 85.214 3.115 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.182 2.167 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.426 2.361 2.942 1.00 0.00 H new ATOM 0 HG SER A 62 87.933 0.201 2.221 1.00 0.00 H new ATOM 996 N GLU A 63 84.809 3.619 0.477 1.00 0.00 N ATOM 997 CA GLU A 63 84.201 3.909 -0.851 1.00 0.00 C ATOM 998 C GLU A 63 84.694 2.890 -1.877 1.00 0.00 C ATOM 999 O GLU A 63 83.955 2.455 -2.738 1.00 0.00 O ATOM 1000 CB GLU A 63 84.684 5.315 -1.211 1.00 0.00 C ATOM 1001 CG GLU A 63 83.883 5.840 -2.403 1.00 0.00 C ATOM 1002 CD GLU A 63 84.693 6.917 -3.128 1.00 0.00 C ATOM 1003 OE1 GLU A 63 85.786 7.214 -2.674 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.208 7.426 -4.125 1.00 0.00 O ATOM 0 H GLU A 63 85.296 4.402 0.912 1.00 0.00 H new ATOM 0 HA GLU A 63 83.113 3.849 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.565 5.982 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.746 5.295 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.650 5.023 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.933 6.252 -2.063 1.00 0.00 H new ATOM 1011 N ALA A 64 85.936 2.499 -1.791 1.00 0.00 N ATOM 1012 CA ALA A 64 86.469 1.506 -2.759 1.00 0.00 C ATOM 1013 C ALA A 64 85.704 0.192 -2.619 1.00 0.00 C ATOM 1014 O ALA A 64 85.387 -0.461 -3.593 1.00 0.00 O ATOM 1015 CB ALA A 64 87.938 1.320 -2.376 1.00 0.00 C ATOM 0 H ALA A 64 86.603 2.826 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 64 86.364 1.833 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.401 0.598 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.458 2.275 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.003 0.955 -1.351 1.00 0.00 H new ATOM 1021 N ASP A 65 85.382 -0.189 -1.414 1.00 0.00 N ATOM 1022 CA ASP A 65 84.614 -1.447 -1.221 1.00 0.00 C ATOM 1023 C ASP A 65 83.206 -1.240 -1.767 1.00 0.00 C ATOM 1024 O ASP A 65 82.745 -1.961 -2.632 1.00 0.00 O ATOM 1025 CB ASP A 65 84.585 -1.674 0.291 1.00 0.00 C ATOM 1026 CG ASP A 65 85.738 -2.594 0.692 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.287 -3.241 -0.184 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.053 -2.637 1.871 1.00 0.00 O ATOM 0 H ASP A 65 85.617 0.315 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 65 85.051 -2.303 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.668 -0.721 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 65 83.633 -2.117 0.584 1.00 0.00 H new ATOM 1033 N ALA A 66 82.526 -0.237 -1.281 1.00 0.00 N ATOM 1034 CA ALA A 66 81.155 0.040 -1.788 1.00 0.00 C ATOM 1035 C ALA A 66 81.217 0.349 -3.286 1.00 0.00 C ATOM 1036 O ALA A 66 80.352 -0.039 -4.047 1.00 0.00 O ATOM 1037 CB ALA A 66 80.678 1.261 -1.003 1.00 0.00 C ATOM 0 H ALA A 66 82.860 0.399 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 66 80.480 -0.806 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.670 1.528 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.672 1.029 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.351 2.098 -1.189 1.00 0.00 H new ATOM 1043 N GLU A 67 82.242 1.039 -3.718 1.00 0.00 N ATOM 1044 CA GLU A 67 82.364 1.361 -5.166 1.00 0.00 C ATOM 1045 C GLU A 67 82.782 0.110 -5.939 1.00 0.00 C ATOM 1046 O GLU A 67 82.271 -0.173 -7.006 1.00 0.00 O ATOM 1047 CB GLU A 67 83.451 2.433 -5.250 1.00 0.00 C ATOM 1048 CG GLU A 67 83.577 2.923 -6.693 1.00 0.00 C ATOM 1049 CD GLU A 67 84.034 4.383 -6.700 1.00 0.00 C ATOM 1050 OE1 GLU A 67 83.794 5.062 -5.715 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.616 4.796 -7.688 1.00 0.00 O ATOM 0 H GLU A 67 82.997 1.391 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 67 81.424 1.708 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.205 3.267 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.403 2.027 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.291 2.305 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.619 2.828 -7.205 1.00 0.00 H new ATOM 1058 N LYS A 68 83.700 -0.646 -5.403 1.00 0.00 N ATOM 1059 CA LYS A 68 84.142 -1.884 -6.102 1.00 0.00 C ATOM 1060 C LYS A 68 82.949 -2.824 -6.263 1.00 0.00 C ATOM 1061 O LYS A 68 82.801 -3.492 -7.267 1.00 0.00 O ATOM 1062 CB LYS A 68 85.198 -2.506 -5.188 1.00 0.00 C ATOM 1063 CG LYS A 68 85.521 -3.922 -5.669 1.00 0.00 C ATOM 1064 CD LYS A 68 86.369 -3.847 -6.941 1.00 0.00 C ATOM 1065 CE LYS A 68 87.524 -4.846 -6.845 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.925 -6.163 -7.194 1.00 0.00 N ATOM 0 H LYS A 68 84.162 -0.460 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 68 84.542 -1.687 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.101 -1.895 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.834 -2.534 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.058 -4.468 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.600 -4.470 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.755 -4.068 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.758 -2.837 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.330 -4.585 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.951 -4.860 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.664 -6.894 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.189 -6.404 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.503 -6.112 -8.143 1.00 0.00 H new ATOM 1080 N ASN A 69 82.091 -2.873 -5.282 1.00 0.00 N ATOM 1081 CA ASN A 69 80.901 -3.758 -5.377 1.00 0.00 C ATOM 1082 C ASN A 69 79.875 -3.145 -6.333 1.00 0.00 C ATOM 1083 O ASN A 69 79.426 -3.777 -7.272 1.00 0.00 O ATOM 1084 CB ASN A 69 80.349 -3.814 -3.954 1.00 0.00 C ATOM 1085 CG ASN A 69 80.818 -5.102 -3.279 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.135 -6.106 -3.317 1.00 0.00 O ATOM 1087 ND2 ASN A 69 81.967 -5.117 -2.660 1.00 0.00 N ATOM 0 H ASN A 69 82.165 -2.336 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 69 81.140 -4.750 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.689 -2.948 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.260 -3.776 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.292 -5.972 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.540 -4.274 -2.628 1.00 0.00 H new ATOM 1094 N LEU A 70 79.509 -1.912 -6.104 1.00 0.00 N ATOM 1095 CA LEU A 70 78.521 -1.251 -7.003 1.00 0.00 C ATOM 1096 C LEU A 70 78.944 -1.435 -8.458 1.00 0.00 C ATOM 1097 O LEU A 70 78.145 -1.756 -9.315 1.00 0.00 O ATOM 1098 CB LEU A 70 78.555 0.228 -6.616 1.00 0.00 C ATOM 1099 CG LEU A 70 77.135 0.713 -6.325 1.00 0.00 C ATOM 1100 CD1 LEU A 70 77.191 1.966 -5.450 1.00 0.00 C ATOM 1101 CD2 LEU A 70 76.431 1.046 -7.644 1.00 0.00 C ATOM 0 H LEU A 70 79.851 -1.336 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 70 77.520 -1.670 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.186 0.371 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 70 78.993 0.816 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 70 76.584 -0.070 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.178 2.311 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 77.693 1.732 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.742 2.749 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 70 75.418 1.392 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.983 1.829 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.390 0.154 -8.270 1.00 0.00 H new ATOM 1113 N GLU A 71 80.200 -1.244 -8.737 1.00 0.00 N ATOM 1114 CA GLU A 71 80.688 -1.419 -10.134 1.00 0.00 C ATOM 1115 C GLU A 71 80.868 -2.909 -10.427 1.00 0.00 C ATOM 1116 O GLU A 71 80.588 -3.378 -11.514 1.00 0.00 O ATOM 1117 CB GLU A 71 82.034 -0.694 -10.180 1.00 0.00 C ATOM 1118 CG GLU A 71 81.802 0.795 -10.449 1.00 0.00 C ATOM 1119 CD GLU A 71 83.150 1.506 -10.577 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.862 1.217 -11.525 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.448 2.328 -9.726 1.00 0.00 O ATOM 0 H GLU A 71 80.912 -0.974 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 71 79.994 -1.023 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.563 -0.826 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.663 -1.122 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 71 81.222 0.924 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.222 1.236 -9.638 1.00 0.00 H new ATOM 1128 N GLU A 72 81.327 -3.657 -9.462 1.00 0.00 N ATOM 1129 CA GLU A 72 81.519 -5.115 -9.676 1.00 0.00 C ATOM 1130 C GLU A 72 80.242 -5.730 -10.250 1.00 0.00 C ATOM 1131 O GLU A 72 80.277 -6.474 -11.211 1.00 0.00 O ATOM 1132 CB GLU A 72 81.816 -5.685 -8.287 1.00 0.00 C ATOM 1133 CG GLU A 72 81.626 -7.203 -8.305 1.00 0.00 C ATOM 1134 CD GLU A 72 82.896 -7.883 -7.787 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.377 -7.477 -6.742 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.366 -8.796 -8.445 1.00 0.00 O ATOM 0 H GLU A 72 81.577 -3.319 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 72 82.322 -5.330 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.836 -5.439 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.154 -5.234 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 72 80.773 -7.481 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.407 -7.541 -9.318 1.00 0.00 H new ATOM 1143 N LYS A 73 79.111 -5.427 -9.670 1.00 0.00 N ATOM 1144 CA LYS A 73 77.836 -5.998 -10.193 1.00 0.00 C ATOM 1145 C LYS A 73 76.642 -5.473 -9.392 1.00 0.00 C ATOM 1146 O LYS A 73 75.652 -6.153 -9.226 1.00 0.00 O ATOM 1147 CB LYS A 73 77.977 -7.510 -10.010 1.00 0.00 C ATOM 1148 CG LYS A 73 77.921 -8.196 -11.376 1.00 0.00 C ATOM 1149 CD LYS A 73 76.723 -7.665 -12.166 1.00 0.00 C ATOM 1150 CE LYS A 73 75.850 -8.838 -12.620 1.00 0.00 C ATOM 1151 NZ LYS A 73 74.468 -8.286 -12.681 1.00 0.00 N ATOM 0 H LYS A 73 79.015 -4.813 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 73 77.661 -5.723 -11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.920 -7.741 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.179 -7.886 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.844 -8.010 -11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.837 -9.275 -11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 73 76.140 -6.982 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 73 77.067 -7.098 -13.031 1.00 0.00 H new ATOM 0 HE2 LYS A 73 76.168 -9.214 -13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 73 75.912 -9.671 -11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.858 -8.935 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 74.095 -8.178 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 74.485 -7.359 -13.152 1.00 0.00 H new ATOM 1165 N GLN A 74 76.732 -4.266 -8.898 1.00 0.00 N ATOM 1166 CA GLN A 74 75.609 -3.684 -8.107 1.00 0.00 C ATOM 1167 C GLN A 74 75.005 -4.743 -7.182 1.00 0.00 C ATOM 1168 O GLN A 74 75.442 -4.928 -6.063 1.00 0.00 O ATOM 1169 CB GLN A 74 74.586 -3.227 -9.148 1.00 0.00 C ATOM 1170 CG GLN A 74 75.068 -1.931 -9.803 1.00 0.00 C ATOM 1171 CD GLN A 74 74.082 -0.804 -9.490 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.059 -1.028 -8.875 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.349 0.409 -9.892 1.00 0.00 N ATOM 0 H GLN A 74 77.541 -3.655 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 74 75.935 -2.862 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 74 74.450 -4.000 -9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 74 73.616 -3.069 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.061 -1.673 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 74 75.153 -2.066 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.208 0.598 -10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.699 1.168 -9.690 1.00 0.00 H new ATOM 1182 N GLY A 75 74.005 -5.439 -7.642 1.00 0.00 N ATOM 1183 CA GLY A 75 73.372 -6.487 -6.795 1.00 0.00 C ATOM 1184 C GLY A 75 73.691 -7.869 -7.367 1.00 0.00 C ATOM 1185 O GLY A 75 72.814 -8.689 -7.558 1.00 0.00 O ATOM 0 H GLY A 75 73.597 -5.327 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.739 -6.412 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.293 -6.337 -6.759 1.00 0.00 H new ATOM 1189 N ALA A 76 74.943 -8.129 -7.633 1.00 0.00 N ATOM 1190 CA ALA A 76 75.347 -9.448 -8.184 1.00 0.00 C ATOM 1191 C ALA A 76 74.316 -9.949 -9.191 1.00 0.00 C ATOM 1192 O ALA A 76 74.256 -9.509 -10.322 1.00 0.00 O ATOM 1193 CB ALA A 76 75.426 -10.367 -6.961 1.00 0.00 C ATOM 0 H ALA A 76 75.710 -7.473 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 76 76.294 -9.405 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.720 -11.368 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 76.163 -9.977 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.451 -10.411 -6.475 1.00 0.00 H new ATOM 1199 N GLU A 77 73.517 -10.862 -8.770 1.00 0.00 N ATOM 1200 CA GLU A 77 72.463 -11.442 -9.650 1.00 0.00 C ATOM 1201 C GLU A 77 71.708 -12.517 -8.870 1.00 0.00 C ATOM 1202 O GLU A 77 72.132 -13.653 -8.792 1.00 0.00 O ATOM 1203 CB GLU A 77 73.214 -12.066 -10.829 1.00 0.00 C ATOM 1204 CG GLU A 77 72.235 -12.328 -11.975 1.00 0.00 C ATOM 1205 CD GLU A 77 72.804 -11.756 -13.275 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.776 -12.306 -13.766 1.00 0.00 O ATOM 1207 OE2 GLU A 77 72.259 -10.778 -13.757 1.00 0.00 O ATOM 0 H GLU A 77 73.541 -11.250 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 77 71.740 -10.700 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.010 -11.399 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.687 -12.998 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.062 -13.399 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.271 -11.870 -11.755 1.00 0.00 H new ATOM 1214 N ILE A 78 70.604 -12.168 -8.274 1.00 0.00 N ATOM 1215 CA ILE A 78 69.843 -13.171 -7.481 1.00 0.00 C ATOM 1216 C ILE A 78 68.342 -12.998 -7.717 1.00 0.00 C ATOM 1217 O ILE A 78 67.920 -12.133 -8.457 1.00 0.00 O ATOM 1218 CB ILE A 78 70.203 -12.869 -6.025 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.709 -12.618 -5.907 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.823 -14.059 -5.147 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.991 -11.122 -6.063 1.00 0.00 C ATOM 0 H ILE A 78 70.196 -11.234 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 78 70.088 -14.197 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 78 69.659 -11.983 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.072 -12.969 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.243 -13.181 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.080 -13.843 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.751 -14.241 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.366 -14.944 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.063 -10.943 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.642 -10.786 -7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.469 -10.570 -5.282 1.00 0.00 H new ATOM 1233 N ASP A 79 67.533 -13.815 -7.100 1.00 0.00 N ATOM 1234 CA ASP A 79 66.063 -13.690 -7.304 1.00 0.00 C ATOM 1235 C ASP A 79 65.767 -13.484 -8.791 1.00 0.00 C ATOM 1236 O ASP A 79 64.822 -12.819 -9.163 1.00 0.00 O ATOM 1237 CB ASP A 79 65.653 -12.457 -6.497 1.00 0.00 C ATOM 1238 CG ASP A 79 64.418 -12.782 -5.657 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.331 -12.773 -6.208 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.582 -13.035 -4.473 1.00 0.00 O ATOM 0 H ASP A 79 67.825 -14.560 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 79 65.518 -14.579 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.473 -12.144 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.440 -11.625 -7.168 1.00 0.00 H new ATOM 1245 N GLY A 80 66.576 -14.054 -9.643 1.00 0.00 N ATOM 1246 CA GLY A 80 66.356 -13.900 -11.101 1.00 0.00 C ATOM 1247 C GLY A 80 66.620 -12.449 -11.513 1.00 0.00 C ATOM 1248 O GLY A 80 66.029 -11.943 -12.445 1.00 0.00 O ATOM 0 H GLY A 80 67.383 -14.622 -9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 80 67.017 -14.570 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.334 -14.180 -11.356 1.00 0.00 H new ATOM 1252 N ARG A 81 67.507 -11.777 -10.827 1.00 0.00 N ATOM 1253 CA ARG A 81 67.806 -10.361 -11.185 1.00 0.00 C ATOM 1254 C ARG A 81 68.852 -9.780 -10.229 1.00 0.00 C ATOM 1255 O ARG A 81 68.877 -10.094 -9.056 1.00 0.00 O ATOM 1256 CB ARG A 81 66.475 -9.620 -11.033 1.00 0.00 C ATOM 1257 CG ARG A 81 65.892 -9.890 -9.645 1.00 0.00 C ATOM 1258 CD ARG A 81 64.364 -9.851 -9.714 1.00 0.00 C ATOM 1259 NE ARG A 81 64.030 -8.434 -10.032 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.865 -7.947 -9.702 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.913 -8.744 -9.299 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.650 -6.662 -9.777 1.00 0.00 N ATOM 0 H ARG A 81 68.035 -12.147 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 81 68.211 -10.271 -12.193 1.00 0.00 H new ATOM 0 HB2 ARG A 81 66.625 -8.550 -11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.775 -9.947 -11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.225 -10.862 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.253 -9.145 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.986 -10.527 -10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.918 -10.159 -8.768 1.00 0.00 H new ATOM 0 HE ARG A 81 64.713 -7.844 -10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.079 -9.749 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.003 -8.362 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.392 -6.038 -10.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.740 -6.281 -9.519 1.00 0.00 H new ATOM 1276 N SER A 82 69.713 -8.933 -10.722 1.00 0.00 N ATOM 1277 CA SER A 82 70.751 -8.330 -9.840 1.00 0.00 C ATOM 1278 C SER A 82 70.141 -7.182 -9.033 1.00 0.00 C ATOM 1279 O SER A 82 69.347 -6.412 -9.537 1.00 0.00 O ATOM 1280 CB SER A 82 71.823 -7.807 -10.793 1.00 0.00 C ATOM 1281 OG SER A 82 71.202 -7.296 -11.964 1.00 0.00 O ATOM 0 H SER A 82 69.743 -8.633 -11.696 1.00 0.00 H new ATOM 0 HA SER A 82 71.159 -9.044 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.408 -7.026 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 82 72.515 -8.607 -11.054 1.00 0.00 H new ATOM 0 HG SER A 82 71.888 -6.958 -12.577 1.00 0.00 H new ATOM 1287 N VAL A 83 70.499 -7.059 -7.785 1.00 0.00 N ATOM 1288 CA VAL A 83 69.929 -5.957 -6.958 1.00 0.00 C ATOM 1289 C VAL A 83 70.605 -4.628 -7.306 1.00 0.00 C ATOM 1290 O VAL A 83 71.731 -4.590 -7.761 1.00 0.00 O ATOM 1291 CB VAL A 83 70.203 -6.361 -5.505 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.141 -5.128 -4.598 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.145 -7.371 -5.058 1.00 0.00 C ATOM 0 H VAL A 83 71.158 -7.670 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 83 68.863 -5.814 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 83 71.196 -6.806 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.337 -5.424 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.891 -4.404 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.151 -4.677 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.334 -7.663 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.156 -6.919 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.190 -8.252 -5.698 1.00 0.00 H new ATOM 1303 N SER A 84 69.922 -3.537 -7.099 1.00 0.00 N ATOM 1304 CA SER A 84 70.520 -2.211 -7.421 1.00 0.00 C ATOM 1305 C SER A 84 71.164 -1.607 -6.172 1.00 0.00 C ATOM 1306 O SER A 84 70.685 -1.779 -5.069 1.00 0.00 O ATOM 1307 CB SER A 84 69.347 -1.351 -7.888 1.00 0.00 C ATOM 1308 OG SER A 84 68.486 -2.134 -8.703 1.00 0.00 O ATOM 0 H SER A 84 68.975 -3.506 -6.721 1.00 0.00 H new ATOM 0 HA SER A 84 71.300 -2.282 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.800 -0.964 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.713 -0.490 -8.447 1.00 0.00 H new ATOM 0 HG SER A 84 67.823 -1.553 -9.131 1.00 0.00 H new ATOM 1314 N LEU A 85 72.248 -0.902 -6.336 1.00 0.00 N ATOM 1315 CA LEU A 85 72.922 -0.289 -5.157 1.00 0.00 C ATOM 1316 C LEU A 85 72.848 1.236 -5.240 1.00 0.00 C ATOM 1317 O LEU A 85 73.500 1.856 -6.058 1.00 0.00 O ATOM 1318 CB LEU A 85 74.376 -0.759 -5.239 1.00 0.00 C ATOM 1319 CG LEU A 85 74.437 -2.285 -5.134 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.873 -2.715 -4.825 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.514 -2.765 -4.011 1.00 0.00 C ATOM 0 H LEU A 85 72.697 -0.724 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 85 72.452 -0.580 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.820 -0.432 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.959 -0.307 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 85 74.115 -2.723 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.919 -3.801 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.534 -2.378 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.190 -2.272 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.561 -3.852 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 85 73.833 -2.326 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.490 -2.460 -4.226 1.00 0.00 H new ATOM 1333 N TYR A 86 72.065 1.848 -4.395 1.00 0.00 N ATOM 1334 CA TYR A 86 71.959 3.333 -4.423 1.00 0.00 C ATOM 1335 C TYR A 86 72.958 3.936 -3.441 1.00 0.00 C ATOM 1336 O TYR A 86 72.680 4.083 -2.270 1.00 0.00 O ATOM 1337 CB TYR A 86 70.536 3.646 -3.978 1.00 0.00 C ATOM 1338 CG TYR A 86 69.596 3.552 -5.153 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.822 2.602 -6.157 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.497 4.412 -5.236 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.945 2.514 -7.243 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.621 4.325 -6.322 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.844 3.375 -7.327 1.00 0.00 C ATOM 1344 OH TYR A 86 66.980 3.288 -8.399 1.00 0.00 O ATOM 0 H TYR A 86 71.495 1.384 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 86 72.174 3.743 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.228 2.949 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.493 4.646 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.672 1.939 -6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.325 5.144 -4.461 1.00 0.00 H new ATOM 0 HE1 TYR A 86 69.117 1.781 -8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 86 66.773 4.990 -6.386 1.00 0.00 H new ATOM 0 HH TYR A 86 66.270 3.956 -8.302 1.00 0.00 H new ATOM 1354 N TYR A 87 74.119 4.278 -3.910 1.00 0.00 N ATOM 1355 CA TYR A 87 75.140 4.864 -3.014 1.00 0.00 C ATOM 1356 C TYR A 87 74.557 6.049 -2.243 1.00 0.00 C ATOM 1357 O TYR A 87 73.366 6.291 -2.259 1.00 0.00 O ATOM 1358 CB TYR A 87 76.252 5.326 -3.950 1.00 0.00 C ATOM 1359 CG TYR A 87 77.593 4.876 -3.419 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.770 4.660 -2.046 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.659 4.670 -4.302 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.012 4.238 -1.559 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.901 4.249 -3.815 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.078 4.033 -2.443 1.00 0.00 C ATOM 1365 OH TYR A 87 81.303 3.617 -1.964 1.00 0.00 O ATOM 0 H TYR A 87 74.405 4.175 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 87 75.497 4.153 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.091 4.919 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.234 6.412 -4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.948 4.819 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.523 4.836 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.148 4.070 -0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.723 4.091 -4.497 1.00 0.00 H new ATOM 0 HH TYR A 87 81.400 3.894 -1.029 1.00 0.00 H new ATOM 1375 N THR A 88 75.387 6.788 -1.573 1.00 0.00 N ATOM 1376 CA THR A 88 74.885 7.961 -0.799 1.00 0.00 C ATOM 1377 C THR A 88 76.056 8.757 -0.220 1.00 0.00 C ATOM 1378 O THR A 88 76.604 8.416 0.808 1.00 0.00 O ATOM 1379 CB THR A 88 74.038 7.359 0.323 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.417 6.005 0.526 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.559 7.424 -0.061 1.00 0.00 C ATOM 0 H THR A 88 76.394 6.635 -1.524 1.00 0.00 H new ATOM 0 HA THR A 88 74.312 8.650 -1.419 1.00 0.00 H new ATOM 0 HB THR A 88 74.198 7.923 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.384 5.955 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 88 71.956 6.995 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.269 8.463 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.397 6.861 -0.980 1.00 0.00 H new ATOM 1389 N GLY A 89 76.442 9.819 -0.871 1.00 0.00 N ATOM 1390 CA GLY A 89 77.576 10.640 -0.356 1.00 0.00 C ATOM 1391 C GLY A 89 78.461 11.098 -1.505 1.00 0.00 C ATOM 1392 O GLY A 89 79.350 11.912 -1.345 1.00 0.00 O ATOM 0 H GLY A 89 76.022 10.155 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.192 11.506 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 89 78.163 10.057 0.354 1.00 0.00 H new ATOM 1396 N GLU A 90 78.215 10.580 -2.656 1.00 0.00 N ATOM 1397 CA GLU A 90 79.019 10.961 -3.849 1.00 0.00 C ATOM 1398 C GLU A 90 78.142 11.719 -4.852 1.00 0.00 C ATOM 1399 O GLU A 90 77.351 12.563 -4.482 1.00 0.00 O ATOM 1400 CB GLU A 90 79.498 9.634 -4.441 1.00 0.00 C ATOM 1401 CG GLU A 90 80.305 8.868 -3.390 1.00 0.00 C ATOM 1402 CD GLU A 90 80.156 7.365 -3.628 1.00 0.00 C ATOM 1403 OE1 GLU A 90 79.924 6.984 -4.763 1.00 0.00 O ATOM 1404 OE2 GLU A 90 80.276 6.618 -2.670 1.00 0.00 O ATOM 0 H GLU A 90 77.480 9.896 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 90 79.853 11.617 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 78.644 9.039 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.111 9.817 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.356 9.153 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 90 79.956 9.125 -2.390 1.00 0.00 H new ATOM 1411 N LYS A 91 78.272 11.425 -6.118 1.00 0.00 N ATOM 1412 CA LYS A 91 77.441 12.131 -7.135 1.00 0.00 C ATOM 1413 C LYS A 91 76.506 11.139 -7.832 1.00 0.00 C ATOM 1414 O LYS A 91 75.509 11.516 -8.414 1.00 0.00 O ATOM 1415 CB LYS A 91 78.443 12.716 -8.131 1.00 0.00 C ATOM 1416 CG LYS A 91 77.826 13.936 -8.817 1.00 0.00 C ATOM 1417 CD LYS A 91 78.744 14.404 -9.949 1.00 0.00 C ATOM 1418 CE LYS A 91 79.284 15.799 -9.627 1.00 0.00 C ATOM 1419 NZ LYS A 91 79.579 16.412 -10.951 1.00 0.00 N ATOM 0 H LYS A 91 78.916 10.728 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 91 76.812 12.903 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 91 79.361 13.000 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 91 78.714 11.966 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 91 76.842 13.685 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 91 77.683 14.739 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 91 79.569 13.703 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 91 78.196 14.423 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 91 78.552 16.388 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 91 80.180 15.743 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 79.954 17.372 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 80.283 15.834 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 78.706 16.459 -11.514 1.00 0.00 H new ATOM 1433 N GLY A 92 76.821 9.875 -7.778 1.00 0.00 N ATOM 1434 CA GLY A 92 75.950 8.860 -8.437 1.00 0.00 C ATOM 1435 C GLY A 92 74.489 9.135 -8.083 1.00 0.00 C ATOM 1436 O GLY A 92 74.187 9.746 -7.075 1.00 0.00 O ATOM 0 H GLY A 92 77.644 9.500 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 92 76.086 8.895 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.231 7.858 -8.113 1.00 0.00 H new ATOM 1440 N GLY A 93 73.577 8.689 -8.902 1.00 0.00 N ATOM 1441 CA GLY A 93 72.134 8.925 -8.611 1.00 0.00 C ATOM 1442 C GLY A 93 71.336 8.873 -9.915 1.00 0.00 C ATOM 1443 O GLY A 93 71.688 9.507 -10.888 1.00 0.00 O ATOM 0 H GLY A 93 73.768 8.171 -9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 93 71.764 8.172 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.003 9.894 -8.130 1.00 0.00 H new ATOM 1447 N THR A 94 70.264 8.116 -9.929 1.00 0.00 N ATOM 1448 CA THR A 94 69.413 7.996 -11.157 1.00 0.00 C ATOM 1449 C THR A 94 70.252 8.138 -12.432 1.00 0.00 C ATOM 1450 O THR A 94 69.825 8.725 -13.406 1.00 0.00 O ATOM 1451 CB THR A 94 68.380 9.125 -11.044 1.00 0.00 C ATOM 1452 OG1 THR A 94 67.266 8.823 -11.873 1.00 0.00 O ATOM 1453 CG2 THR A 94 68.987 10.463 -11.481 1.00 0.00 C ATOM 0 H THR A 94 69.939 7.569 -9.132 1.00 0.00 H new ATOM 0 HA THR A 94 68.937 7.018 -11.223 1.00 0.00 H new ATOM 0 HB THR A 94 68.065 9.208 -10.004 1.00 0.00 H new ATOM 0 HG1 THR A 94 67.576 8.645 -12.786 1.00 0.00 H new ATOM 0 HG21 THR A 94 68.237 11.249 -11.393 1.00 0.00 H new ATOM 0 HG22 THR A 94 69.839 10.701 -10.844 1.00 0.00 H new ATOM 0 HG23 THR A 94 69.317 10.392 -12.517 1.00 0.00 H new ATOM 1461 N ARG A 95 71.444 7.605 -12.433 1.00 0.00 N ATOM 1462 CA ARG A 95 72.307 7.710 -13.644 1.00 0.00 C ATOM 1463 C ARG A 95 72.295 9.145 -14.179 1.00 0.00 C ATOM 1464 O ARG A 95 71.481 9.502 -15.006 1.00 0.00 O ATOM 1465 CB ARG A 95 71.681 6.753 -14.659 1.00 0.00 C ATOM 1466 CG ARG A 95 72.630 6.573 -15.846 1.00 0.00 C ATOM 1467 CD ARG A 95 71.816 6.357 -17.123 1.00 0.00 C ATOM 1468 NE ARG A 95 71.232 7.690 -17.437 1.00 0.00 N ATOM 1469 CZ ARG A 95 70.468 7.837 -18.484 1.00 0.00 C ATOM 1470 NH1 ARG A 95 70.556 6.998 -19.479 1.00 0.00 N ATOM 1471 NH2 ARG A 95 69.616 8.824 -18.537 1.00 0.00 N ATOM 0 H ARG A 95 71.857 7.102 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 95 73.347 7.459 -13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 95 71.481 5.789 -14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 95 70.724 7.145 -15.002 1.00 0.00 H new ATOM 0 HG2 ARG A 95 73.267 7.451 -15.952 1.00 0.00 H new ATOM 0 HG3 ARG A 95 73.288 5.721 -15.673 1.00 0.00 H new ATOM 0 HD2 ARG A 95 72.447 6.000 -17.938 1.00 0.00 H new ATOM 0 HD3 ARG A 95 71.037 5.610 -16.973 1.00 0.00 H new ATOM 0 HE ARG A 95 71.429 8.488 -16.833 1.00 0.00 H new ATOM 0 HH11 ARG A 95 71.222 6.227 -19.438 1.00 0.00 H new ATOM 0 HH12 ARG A 95 69.958 7.113 -20.298 1.00 0.00 H new ATOM 0 HH21 ARG A 95 69.547 9.481 -17.760 1.00 0.00 H new ATOM 0 HH22 ARG A 95 69.019 8.939 -19.356 1.00 0.00 H new ATOM 1485 N GLY A 96 73.194 9.969 -13.713 1.00 0.00 N ATOM 1486 CA GLY A 96 73.234 11.379 -14.195 1.00 0.00 C ATOM 1487 C GLY A 96 72.554 12.288 -13.169 1.00 0.00 C ATOM 1488 O GLY A 96 71.384 12.074 -12.900 1.00 0.00 O ATOM 1489 OXT GLY A 96 73.217 13.184 -12.671 1.00 0.00 O ATOM 0 H GLY A 96 73.902 9.727 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 96 74.266 11.693 -14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 96 72.731 11.460 -15.158 1.00 0.00 H new TER 1493 GLY A 96