USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 682 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 43 SER OG : rot -169:sc= 0.954 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.413 K(o=0.93,f=-0.52) USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= -0.435 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -110:sc= -1.48 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 155:sc= 1.28 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.137 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 2.53 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc=-0.00529 (180deg=-0.0234) USER MOD Single : A 79 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.7!) USER MOD Single : A 80 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.6!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0151 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 45.481 -10.073 27.377 1.00 0.00 N ATOM 2 CA GLY A -3 45.332 -10.030 25.895 1.00 0.00 C ATOM 3 C GLY A -3 46.672 -9.658 25.257 1.00 0.00 C ATOM 4 O GLY A -3 47.627 -10.410 25.322 1.00 0.00 O ATOM 0 H1 GLY A -3 44.570 -10.326 27.810 1.00 0.00 H new ATOM 0 H2 GLY A -3 46.196 -10.784 27.634 1.00 0.00 H new ATOM 0 H3 GLY A -3 45.782 -9.139 27.723 1.00 0.00 H new ATOM 0 HA2 GLY A -3 44.997 -10.999 25.524 1.00 0.00 H new ATOM 0 HA3 GLY A -3 44.570 -9.302 25.617 1.00 0.00 H new ATOM 10 N ALA A -2 46.744 -8.503 24.641 1.00 0.00 N ATOM 11 CA ALA A -2 48.017 -8.067 23.991 1.00 0.00 C ATOM 12 C ALA A -2 48.323 -6.611 24.353 1.00 0.00 C ATOM 13 O ALA A -2 47.425 -5.822 24.587 1.00 0.00 O ATOM 14 CB ALA A -2 47.762 -8.203 22.490 1.00 0.00 C ATOM 0 H ALA A -2 45.972 -7.842 24.561 1.00 0.00 H new ATOM 0 HA ALA A -2 48.871 -8.662 24.315 1.00 0.00 H new ATOM 0 HB1 ALA A -2 48.653 -7.900 21.941 1.00 0.00 H new ATOM 0 HB2 ALA A -2 47.525 -9.240 22.254 1.00 0.00 H new ATOM 0 HB3 ALA A -2 46.926 -7.565 22.204 1.00 0.00 H new ATOM 20 N MET A -1 49.583 -6.253 24.400 1.00 0.00 N ATOM 21 CA MET A -1 49.962 -4.849 24.748 1.00 0.00 C ATOM 22 C MET A -1 50.924 -4.285 23.699 1.00 0.00 C ATOM 23 O MET A -1 51.578 -5.024 22.986 1.00 0.00 O ATOM 24 CB MET A -1 50.655 -4.952 26.108 1.00 0.00 C ATOM 25 CG MET A -1 49.635 -5.364 27.172 1.00 0.00 C ATOM 26 SD MET A -1 50.420 -5.345 28.802 1.00 0.00 S ATOM 27 CE MET A -1 49.019 -6.003 29.737 1.00 0.00 C ATOM 0 H MET A -1 50.368 -6.876 24.211 1.00 0.00 H new ATOM 0 HA MET A -1 49.099 -4.184 24.778 1.00 0.00 H new ATOM 0 HB2 MET A -1 51.463 -5.682 26.062 1.00 0.00 H new ATOM 0 HB3 MET A -1 51.105 -3.995 26.372 1.00 0.00 H new ATOM 0 HG2 MET A -1 48.784 -4.682 27.159 1.00 0.00 H new ATOM 0 HG3 MET A -1 49.249 -6.360 26.954 1.00 0.00 H new ATOM 0 HE1 MET A -1 49.287 -6.077 30.791 1.00 0.00 H new ATOM 0 HE2 MET A -1 48.163 -5.337 29.627 1.00 0.00 H new ATOM 0 HE3 MET A -1 48.761 -6.992 29.358 1.00 0.00 H new ATOM 37 N ALA A 0 51.011 -2.981 23.601 1.00 0.00 N ATOM 38 CA ALA A 0 51.951 -2.354 22.623 1.00 0.00 C ATOM 39 C ALA A 0 53.273 -2.007 23.312 1.00 0.00 C ATOM 40 O ALA A 0 53.295 -1.324 24.319 1.00 0.00 O ATOM 41 CB ALA A 0 51.244 -1.085 22.146 1.00 0.00 C ATOM 0 H ALA A 0 50.469 -2.322 24.159 1.00 0.00 H new ATOM 0 HA ALA A 0 52.189 -3.020 21.794 1.00 0.00 H new ATOM 0 HB1 ALA A 0 51.874 -0.567 21.423 1.00 0.00 H new ATOM 0 HB2 ALA A 0 50.296 -1.351 21.677 1.00 0.00 H new ATOM 0 HB3 ALA A 0 51.057 -0.431 22.998 1.00 0.00 H new ATOM 47 N MET A 1 54.374 -2.474 22.774 1.00 0.00 N ATOM 48 CA MET A 1 55.703 -2.190 23.397 1.00 0.00 C ATOM 49 C MET A 1 56.776 -2.057 22.311 1.00 0.00 C ATOM 50 O MET A 1 57.908 -2.471 22.490 1.00 0.00 O ATOM 51 CB MET A 1 55.982 -3.398 24.293 1.00 0.00 C ATOM 52 CG MET A 1 57.086 -3.047 25.293 1.00 0.00 C ATOM 53 SD MET A 1 57.428 -4.485 26.340 1.00 0.00 S ATOM 54 CE MET A 1 59.083 -4.850 25.702 1.00 0.00 C ATOM 0 H MET A 1 54.408 -3.042 21.927 1.00 0.00 H new ATOM 0 HA MET A 1 55.710 -1.257 23.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 55.075 -3.688 24.823 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.284 -4.252 23.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.990 -2.746 24.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 56.780 -2.200 25.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 59.489 -5.719 26.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 59.023 -5.059 24.634 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.734 -3.992 25.868 1.00 0.00 H new ATOM 64 N SER A 2 56.424 -1.481 21.186 1.00 0.00 N ATOM 65 CA SER A 2 57.411 -1.316 20.076 1.00 0.00 C ATOM 66 C SER A 2 57.723 0.168 19.862 1.00 0.00 C ATOM 67 O SER A 2 56.902 1.026 20.134 1.00 0.00 O ATOM 68 CB SER A 2 56.720 -1.901 18.845 1.00 0.00 C ATOM 69 OG SER A 2 55.570 -1.123 18.539 1.00 0.00 O ATOM 0 H SER A 2 55.491 -1.117 20.990 1.00 0.00 H new ATOM 0 HA SER A 2 58.358 -1.812 20.287 1.00 0.00 H new ATOM 0 HB2 SER A 2 57.405 -1.907 17.997 1.00 0.00 H new ATOM 0 HB3 SER A 2 56.434 -2.936 19.031 1.00 0.00 H new ATOM 0 HG SER A 2 55.125 -1.494 17.749 1.00 0.00 H new ATOM 75 N GLY A 3 58.903 0.472 19.377 1.00 0.00 N ATOM 76 CA GLY A 3 59.284 1.899 19.147 1.00 0.00 C ATOM 77 C GLY A 3 59.177 2.225 17.657 1.00 0.00 C ATOM 78 O GLY A 3 58.597 3.225 17.274 1.00 0.00 O ATOM 0 H GLY A 3 59.620 -0.210 19.130 1.00 0.00 H new ATOM 0 HA2 GLY A 3 58.632 2.557 19.721 1.00 0.00 H new ATOM 0 HA3 GLY A 3 60.302 2.075 19.496 1.00 0.00 H new ATOM 82 N GLY A 4 59.733 1.387 16.815 1.00 0.00 N ATOM 83 CA GLY A 4 59.676 1.638 15.342 1.00 0.00 C ATOM 84 C GLY A 4 59.222 0.366 14.624 1.00 0.00 C ATOM 85 O GLY A 4 59.337 -0.726 15.150 1.00 0.00 O ATOM 0 H GLY A 4 60.226 0.536 17.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.986 2.455 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 60.656 1.944 14.977 1.00 0.00 H new ATOM 89 N LEU A 5 58.710 0.502 13.424 1.00 0.00 N ATOM 90 CA LEU A 5 58.235 -0.696 12.663 1.00 0.00 C ATOM 91 C LEU A 5 59.425 -1.451 12.037 1.00 0.00 C ATOM 92 O LEU A 5 59.602 -2.624 12.312 1.00 0.00 O ATOM 93 CB LEU A 5 57.295 -0.146 11.570 1.00 0.00 C ATOM 94 CG LEU A 5 55.820 -0.240 12.010 1.00 0.00 C ATOM 95 CD1 LEU A 5 55.428 -1.704 12.233 1.00 0.00 C ATOM 96 CD2 LEU A 5 55.605 0.551 13.307 1.00 0.00 C ATOM 0 H LEU A 5 58.601 1.392 12.939 1.00 0.00 H new ATOM 0 HA LEU A 5 57.723 -1.408 13.310 1.00 0.00 H new ATOM 0 HB2 LEU A 5 57.549 0.892 11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 5 57.439 -0.706 10.646 1.00 0.00 H new ATOM 0 HG LEU A 5 55.195 0.183 11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 5 54.385 -1.758 12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 5 55.560 -2.261 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 56.060 -2.136 13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 5 54.560 0.478 13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 5 56.239 0.141 14.093 1.00 0.00 H new ATOM 0 HD23 LEU A 5 55.863 1.597 13.142 1.00 0.00 H new ATOM 108 N PRO A 6 60.212 -0.771 11.217 1.00 0.00 N ATOM 109 CA PRO A 6 61.330 -1.456 10.514 1.00 0.00 C ATOM 110 C PRO A 6 62.448 -1.805 11.503 1.00 0.00 C ATOM 111 O PRO A 6 62.813 -1.005 12.344 1.00 0.00 O ATOM 112 CB PRO A 6 61.808 -0.428 9.491 1.00 0.00 C ATOM 113 CG PRO A 6 61.375 0.896 10.030 1.00 0.00 C ATOM 114 CD PRO A 6 60.147 0.661 10.870 1.00 0.00 C ATOM 0 HA PRO A 6 61.029 -2.395 10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 6 62.890 -0.468 9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 6 61.370 -0.616 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 6 62.168 1.345 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 6 61.157 1.589 9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 6 60.150 1.287 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 6 59.237 0.896 10.318 1.00 0.00 H new ATOM 122 N GLU A 7 62.990 -2.997 11.404 1.00 0.00 N ATOM 123 CA GLU A 7 64.102 -3.407 12.323 1.00 0.00 C ATOM 124 C GLU A 7 65.345 -2.542 12.082 1.00 0.00 C ATOM 125 O GLU A 7 65.823 -2.428 10.968 1.00 0.00 O ATOM 126 CB GLU A 7 64.398 -4.869 11.977 1.00 0.00 C ATOM 127 CG GLU A 7 63.369 -5.778 12.658 1.00 0.00 C ATOM 128 CD GLU A 7 62.107 -5.868 11.795 1.00 0.00 C ATOM 129 OE1 GLU A 7 62.244 -5.997 10.589 1.00 0.00 O ATOM 130 OE2 GLU A 7 61.026 -5.809 12.355 1.00 0.00 O ATOM 0 H GLU A 7 62.710 -3.705 10.725 1.00 0.00 H new ATOM 0 HA GLU A 7 63.826 -3.284 13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 7 64.365 -5.011 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.404 -5.134 12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 7 63.790 -6.772 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.120 -5.386 13.644 1.00 0.00 H new ATOM 137 N LEU A 8 65.867 -1.934 13.122 1.00 0.00 N ATOM 138 CA LEU A 8 67.068 -1.046 12.962 1.00 0.00 C ATOM 139 C LEU A 8 68.289 -1.854 12.508 1.00 0.00 C ATOM 140 O LEU A 8 68.550 -2.932 13.009 1.00 0.00 O ATOM 141 CB LEU A 8 67.318 -0.454 14.354 1.00 0.00 C ATOM 142 CG LEU A 8 66.150 0.454 14.748 1.00 0.00 C ATOM 143 CD1 LEU A 8 66.279 0.841 16.223 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.174 1.722 13.890 1.00 0.00 C ATOM 0 H LEU A 8 65.514 -2.013 14.076 1.00 0.00 H new ATOM 0 HA LEU A 8 66.900 -0.277 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 8 67.431 -1.255 15.085 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.249 0.113 14.356 1.00 0.00 H new ATOM 0 HG LEU A 8 65.211 -0.077 14.589 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.447 1.487 16.504 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.263 -0.059 16.838 1.00 0.00 H new ATOM 0 HD13 LEU A 8 67.219 1.370 16.379 1.00 0.00 H new ATOM 0 HD21 LEU A 8 65.342 2.368 14.171 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.114 2.251 14.049 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.083 1.451 12.838 1.00 0.00 H new ATOM 156 N GLY A 9 69.035 -1.334 11.562 1.00 0.00 N ATOM 157 CA GLY A 9 70.304 -2.004 11.134 1.00 0.00 C ATOM 158 C GLY A 9 70.043 -3.148 10.142 1.00 0.00 C ATOM 159 O GLY A 9 70.973 -3.770 9.661 1.00 0.00 O ATOM 0 H GLY A 9 68.818 -0.470 11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 9 70.965 -1.269 10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 9 70.821 -2.395 12.010 1.00 0.00 H new ATOM 163 N SER A 10 68.797 -3.435 9.829 1.00 0.00 N ATOM 164 CA SER A 10 68.495 -4.546 8.865 1.00 0.00 C ATOM 165 C SER A 10 69.051 -4.214 7.477 1.00 0.00 C ATOM 166 O SER A 10 69.154 -3.059 7.107 1.00 0.00 O ATOM 167 CB SER A 10 66.968 -4.633 8.815 1.00 0.00 C ATOM 168 OG SER A 10 66.480 -5.023 10.092 1.00 0.00 O ATOM 0 H SER A 10 67.980 -2.949 10.198 1.00 0.00 H new ATOM 0 HA SER A 10 68.949 -5.487 9.176 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.546 -3.669 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.657 -5.353 8.058 1.00 0.00 H new ATOM 0 HG SER A 10 66.125 -5.935 10.042 1.00 0.00 H new ATOM 174 N LYS A 11 69.410 -5.216 6.711 1.00 0.00 N ATOM 175 CA LYS A 11 69.875 -4.961 5.311 1.00 0.00 C ATOM 176 C LYS A 11 68.667 -4.783 4.379 1.00 0.00 C ATOM 177 O LYS A 11 67.768 -5.607 4.344 1.00 0.00 O ATOM 178 CB LYS A 11 70.723 -6.187 4.918 1.00 0.00 C ATOM 179 CG LYS A 11 69.863 -7.458 4.847 1.00 0.00 C ATOM 180 CD LYS A 11 70.762 -8.664 4.568 1.00 0.00 C ATOM 181 CE LYS A 11 71.510 -9.052 5.844 1.00 0.00 C ATOM 182 NZ LYS A 11 72.422 -10.157 5.433 1.00 0.00 N ATOM 0 H LYS A 11 69.401 -6.196 6.993 1.00 0.00 H new ATOM 0 HA LYS A 11 70.463 -4.047 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.196 -6.011 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.524 -6.327 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.326 -7.600 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.113 -7.360 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 11 70.163 -9.504 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.472 -8.426 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.069 -8.207 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.820 -9.378 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.971 -10.478 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.861 -10.949 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 73.071 -9.815 4.696 1.00 0.00 H new ATOM 196 N ILE A 12 68.640 -3.709 3.627 1.00 0.00 N ATOM 197 CA ILE A 12 67.477 -3.448 2.721 1.00 0.00 C ATOM 198 C ILE A 12 67.960 -3.245 1.281 1.00 0.00 C ATOM 199 O ILE A 12 69.013 -2.677 1.042 1.00 0.00 O ATOM 200 CB ILE A 12 66.815 -2.170 3.265 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.349 -2.405 4.709 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.601 -1.804 2.400 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.898 -1.081 5.329 1.00 0.00 C ATOM 0 H ILE A 12 69.374 -3.001 3.602 1.00 0.00 H new ATOM 0 HA ILE A 12 66.777 -4.283 2.701 1.00 0.00 H new ATOM 0 HB ILE A 12 67.540 -1.357 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.529 -3.122 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.160 -2.835 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.136 -0.898 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.924 -1.633 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.879 -2.621 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.568 -1.253 6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.730 -0.377 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.074 -0.669 4.747 1.00 0.00 H new ATOM 215 N SER A 13 67.189 -3.715 0.330 1.00 0.00 N ATOM 216 CA SER A 13 67.496 -3.456 -1.108 1.00 0.00 C ATOM 217 C SER A 13 66.577 -2.349 -1.630 1.00 0.00 C ATOM 218 O SER A 13 65.396 -2.332 -1.342 1.00 0.00 O ATOM 219 CB SER A 13 67.212 -4.777 -1.821 1.00 0.00 C ATOM 220 OG SER A 13 67.569 -4.655 -3.192 1.00 0.00 O ATOM 0 H SER A 13 66.351 -4.273 0.493 1.00 0.00 H new ATOM 0 HA SER A 13 68.524 -3.130 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.778 -5.584 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 13 66.157 -5.034 -1.729 1.00 0.00 H new ATOM 0 HG SER A 13 67.246 -5.438 -3.685 1.00 0.00 H new ATOM 226 N LEU A 14 67.111 -1.431 -2.393 1.00 0.00 N ATOM 227 CA LEU A 14 66.339 -0.207 -2.761 1.00 0.00 C ATOM 228 C LEU A 14 66.489 0.086 -4.258 1.00 0.00 C ATOM 229 O LEU A 14 67.583 0.106 -4.784 1.00 0.00 O ATOM 230 CB LEU A 14 66.974 0.904 -1.922 1.00 0.00 C ATOM 231 CG LEU A 14 65.997 2.069 -1.770 1.00 0.00 C ATOM 232 CD1 LEU A 14 64.833 1.653 -0.869 1.00 0.00 C ATOM 233 CD2 LEU A 14 66.724 3.256 -1.137 1.00 0.00 C ATOM 0 H LEU A 14 68.054 -1.477 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 14 65.270 -0.308 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.248 0.518 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 67.893 1.249 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 14 65.613 2.349 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.139 2.487 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.315 0.803 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.215 1.372 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.031 4.090 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.105 2.969 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.555 3.557 -1.776 1.00 0.00 H new ATOM 245 N ILE A 15 65.393 0.312 -4.945 1.00 0.00 N ATOM 246 CA ILE A 15 65.458 0.577 -6.419 1.00 0.00 C ATOM 247 C ILE A 15 65.180 2.064 -6.692 1.00 0.00 C ATOM 248 O ILE A 15 64.131 2.582 -6.334 1.00 0.00 O ATOM 249 CB ILE A 15 64.362 -0.309 -7.038 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.647 -1.784 -6.727 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.335 -0.117 -8.559 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.421 -2.631 -7.078 1.00 0.00 C ATOM 0 H ILE A 15 64.454 0.324 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 15 66.437 0.352 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 15 63.399 -0.024 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.512 -2.125 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.893 -1.902 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.557 -0.747 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.126 0.928 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.302 -0.395 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.627 -3.678 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.567 -2.296 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.195 -2.523 -8.139 1.00 0.00 H new ATOM 264 N SER A 16 66.118 2.738 -7.320 1.00 0.00 N ATOM 265 CA SER A 16 65.964 4.203 -7.598 1.00 0.00 C ATOM 266 C SER A 16 65.375 4.445 -8.996 1.00 0.00 C ATOM 267 O SER A 16 65.477 3.606 -9.875 1.00 0.00 O ATOM 268 CB SER A 16 67.384 4.764 -7.524 1.00 0.00 C ATOM 269 OG SER A 16 67.954 4.435 -6.264 1.00 0.00 O ATOM 0 H SER A 16 66.991 2.331 -7.654 1.00 0.00 H new ATOM 0 HA SER A 16 65.285 4.677 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 16 67.992 4.353 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.367 5.846 -7.657 1.00 0.00 H new ATOM 0 HG SER A 16 68.931 4.419 -6.341 1.00 0.00 H new ATOM 275 N LYS A 17 64.780 5.605 -9.197 1.00 0.00 N ATOM 276 CA LYS A 17 63.992 5.889 -10.451 1.00 0.00 C ATOM 277 C LYS A 17 64.798 5.619 -11.733 1.00 0.00 C ATOM 278 O LYS A 17 64.233 5.527 -12.809 1.00 0.00 O ATOM 279 CB LYS A 17 63.643 7.380 -10.366 1.00 0.00 C ATOM 280 CG LYS A 17 62.618 7.732 -11.448 1.00 0.00 C ATOM 281 CD LYS A 17 62.232 9.208 -11.325 1.00 0.00 C ATOM 282 CE LYS A 17 63.362 10.081 -11.879 1.00 0.00 C ATOM 283 NZ LYS A 17 63.238 11.375 -11.154 1.00 0.00 N ATOM 0 H LYS A 17 64.808 6.380 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 17 63.118 5.240 -10.508 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.241 7.614 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.543 7.982 -10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.034 7.535 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.733 7.104 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.309 9.400 -11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.043 9.459 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.336 9.623 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.262 10.220 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.979 12.028 -11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.304 11.791 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.344 11.212 -10.132 1.00 0.00 H new ATOM 297 N ALA A 18 66.100 5.490 -11.637 1.00 0.00 N ATOM 298 CA ALA A 18 66.927 5.233 -12.857 1.00 0.00 C ATOM 299 C ALA A 18 67.072 3.724 -13.098 1.00 0.00 C ATOM 300 O ALA A 18 67.978 3.288 -13.783 1.00 0.00 O ATOM 301 CB ALA A 18 68.290 5.857 -12.548 1.00 0.00 C ATOM 0 H ALA A 18 66.625 5.552 -10.765 1.00 0.00 H new ATOM 0 HA ALA A 18 66.476 5.654 -13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 18 68.958 5.711 -13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.168 6.924 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.716 5.381 -11.665 1.00 0.00 H new ATOM 307 N ASP A 19 66.183 2.922 -12.539 1.00 0.00 N ATOM 308 CA ASP A 19 66.314 1.428 -12.618 1.00 0.00 C ATOM 309 C ASP A 19 67.691 1.000 -12.103 1.00 0.00 C ATOM 310 O ASP A 19 68.285 0.055 -12.590 1.00 0.00 O ATOM 311 CB ASP A 19 66.134 1.057 -14.096 1.00 0.00 C ATOM 312 CG ASP A 19 64.693 1.350 -14.520 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.860 0.473 -14.360 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.447 2.446 -14.994 1.00 0.00 O ATOM 0 H ASP A 19 65.364 3.248 -12.026 1.00 0.00 H new ATOM 0 HA ASP A 19 65.570 0.921 -12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 19 66.829 1.626 -14.713 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.363 0.002 -14.248 1.00 0.00 H new ATOM 319 N ILE A 20 68.190 1.701 -11.114 1.00 0.00 N ATOM 320 CA ILE A 20 69.511 1.337 -10.515 1.00 0.00 C ATOM 321 C ILE A 20 69.277 0.622 -9.186 1.00 0.00 C ATOM 322 O ILE A 20 68.372 0.965 -8.449 1.00 0.00 O ATOM 323 CB ILE A 20 70.249 2.668 -10.288 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.365 3.431 -11.617 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.656 2.384 -9.741 1.00 0.00 C ATOM 326 CD1 ILE A 20 70.990 4.809 -11.378 1.00 0.00 C ATOM 0 H ILE A 20 67.737 2.513 -10.695 1.00 0.00 H new ATOM 0 HA ILE A 20 70.090 0.672 -11.156 1.00 0.00 H new ATOM 0 HB ILE A 20 69.691 3.272 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 20 70.975 2.863 -12.320 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.379 3.543 -12.069 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.181 3.326 -9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.577 1.846 -8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.210 1.779 -10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.068 5.342 -12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.363 5.379 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.984 4.688 -10.947 1.00 0.00 H new ATOM 338 N ARG A 21 70.080 -0.362 -8.874 1.00 0.00 N ATOM 339 CA ARG A 21 69.877 -1.114 -7.603 1.00 0.00 C ATOM 340 C ARG A 21 70.914 -0.682 -6.563 1.00 0.00 C ATOM 341 O ARG A 21 72.109 -0.817 -6.765 1.00 0.00 O ATOM 342 CB ARG A 21 70.057 -2.588 -7.971 1.00 0.00 C ATOM 343 CG ARG A 21 69.642 -3.465 -6.787 1.00 0.00 C ATOM 344 CD ARG A 21 69.676 -4.939 -7.203 1.00 0.00 C ATOM 345 NE ARG A 21 69.184 -5.698 -6.007 1.00 0.00 N ATOM 346 CZ ARG A 21 68.730 -6.933 -6.113 1.00 0.00 C ATOM 347 NH1 ARG A 21 68.698 -7.560 -7.267 1.00 0.00 N ATOM 348 NH2 ARG A 21 68.306 -7.548 -5.044 1.00 0.00 N ATOM 0 H ARG A 21 70.866 -0.676 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 21 68.896 -0.928 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.454 -2.831 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.096 -2.783 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.314 -3.299 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.640 -3.194 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.041 -5.118 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.685 -5.247 -7.477 1.00 0.00 H new ATOM 0 HE ARG A 21 69.201 -5.250 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.029 -7.092 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 21 68.342 -8.514 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.328 -7.075 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 67.953 -8.502 -5.111 1.00 0.00 H new ATOM 362 N TYR A 22 70.450 -0.165 -5.453 1.00 0.00 N ATOM 363 CA TYR A 22 71.358 0.189 -4.326 1.00 0.00 C ATOM 364 C TYR A 22 71.055 -0.723 -3.137 1.00 0.00 C ATOM 365 O TYR A 22 69.934 -1.158 -2.962 1.00 0.00 O ATOM 366 CB TYR A 22 71.006 1.636 -3.974 1.00 0.00 C ATOM 367 CG TYR A 22 71.396 2.647 -5.029 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.673 3.258 -4.983 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.484 2.990 -6.061 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.039 4.210 -5.965 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.851 3.942 -7.046 1.00 0.00 C ATOM 372 CZ TYR A 22 72.129 4.552 -6.997 1.00 0.00 C ATOM 373 OH TYR A 22 72.488 5.481 -7.953 1.00 0.00 O ATOM 0 H TYR A 22 69.464 0.029 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 22 72.412 0.076 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 22 69.932 1.704 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.497 1.899 -3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.368 2.998 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.510 2.526 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.012 4.676 -5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.158 4.202 -7.832 1.00 0.00 H new ATOM 0 HH TYR A 22 71.751 5.599 -8.588 1.00 0.00 H new ATOM 383 N GLU A 23 72.034 -1.018 -2.325 1.00 0.00 N ATOM 384 CA GLU A 23 71.772 -1.832 -1.097 1.00 0.00 C ATOM 385 C GLU A 23 72.605 -1.299 0.064 1.00 0.00 C ATOM 386 O GLU A 23 73.748 -0.931 -0.116 1.00 0.00 O ATOM 387 CB GLU A 23 72.208 -3.253 -1.459 1.00 0.00 C ATOM 388 CG GLU A 23 71.272 -3.821 -2.528 1.00 0.00 C ATOM 389 CD GLU A 23 71.483 -5.333 -2.648 1.00 0.00 C ATOM 390 OE1 GLU A 23 71.621 -5.978 -1.621 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.505 -5.820 -3.767 1.00 0.00 O ATOM 0 H GLU A 23 73.004 -0.732 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 23 70.727 -1.795 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 23 73.234 -3.247 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.190 -3.887 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 23 70.235 -3.608 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.465 -3.340 -3.487 1.00 0.00 H new ATOM 398 N GLY A 24 72.048 -1.261 1.250 1.00 0.00 N ATOM 399 CA GLY A 24 72.793 -0.662 2.400 1.00 0.00 C ATOM 400 C GLY A 24 72.088 -0.980 3.720 1.00 0.00 C ATOM 401 O GLY A 24 71.000 -1.528 3.739 1.00 0.00 O ATOM 0 H GLY A 24 71.117 -1.616 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.811 -1.050 2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.866 0.418 2.271 1.00 0.00 H new ATOM 405 N ARG A 25 72.712 -0.638 4.824 1.00 0.00 N ATOM 406 CA ARG A 25 72.086 -0.892 6.162 1.00 0.00 C ATOM 407 C ARG A 25 71.158 0.264 6.552 1.00 0.00 C ATOM 408 O ARG A 25 71.499 1.422 6.391 1.00 0.00 O ATOM 409 CB ARG A 25 73.263 -0.979 7.138 1.00 0.00 C ATOM 410 CG ARG A 25 74.061 -2.255 6.861 1.00 0.00 C ATOM 411 CD ARG A 25 75.226 -2.355 7.851 1.00 0.00 C ATOM 412 NE ARG A 25 75.911 -3.644 7.518 1.00 0.00 N ATOM 413 CZ ARG A 25 76.698 -3.758 6.464 1.00 0.00 C ATOM 414 NH1 ARG A 25 76.905 -2.753 5.646 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.281 -4.901 6.227 1.00 0.00 N ATOM 0 H ARG A 25 73.629 -0.193 4.856 1.00 0.00 H new ATOM 0 HA ARG A 25 71.479 -1.798 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.905 -0.105 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.898 -0.981 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.415 -3.128 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.439 -2.246 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.905 -1.509 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.869 -2.353 8.881 1.00 0.00 H new ATOM 0 HE ARG A 25 75.766 -4.454 8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.453 -1.855 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.518 -2.870 4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.126 -5.692 6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 25 77.892 -5.004 5.416 1.00 0.00 H new ATOM 429 N LEU A 26 69.989 -0.044 7.062 1.00 0.00 N ATOM 430 CA LEU A 26 69.060 1.036 7.537 1.00 0.00 C ATOM 431 C LEU A 26 69.651 1.763 8.748 1.00 0.00 C ATOM 432 O LEU A 26 69.876 1.167 9.785 1.00 0.00 O ATOM 433 CB LEU A 26 67.789 0.295 7.965 1.00 0.00 C ATOM 434 CG LEU A 26 66.668 1.306 8.220 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.064 1.752 6.884 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.581 0.654 9.080 1.00 0.00 C ATOM 0 H LEU A 26 69.637 -0.995 7.171 1.00 0.00 H new ATOM 0 HA LEU A 26 68.880 1.783 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.488 -0.410 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 26 67.981 -0.286 8.867 1.00 0.00 H new ATOM 0 HG LEU A 26 67.073 2.174 8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.266 2.472 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.837 2.216 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.658 0.886 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.782 1.372 9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.177 -0.214 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.010 0.339 10.031 1.00 0.00 H new ATOM 448 N TYR A 27 69.904 3.044 8.622 1.00 0.00 N ATOM 449 CA TYR A 27 70.462 3.816 9.772 1.00 0.00 C ATOM 450 C TYR A 27 69.356 4.606 10.476 1.00 0.00 C ATOM 451 O TYR A 27 69.214 4.543 11.683 1.00 0.00 O ATOM 452 CB TYR A 27 71.488 4.764 9.156 1.00 0.00 C ATOM 453 CG TYR A 27 72.308 5.504 10.185 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.025 4.782 11.170 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.358 6.918 10.167 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.791 5.474 12.138 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.126 7.611 11.135 1.00 0.00 C ATOM 458 CZ TYR A 27 73.842 6.889 12.121 1.00 0.00 C ATOM 459 OH TYR A 27 74.589 7.564 13.064 1.00 0.00 O ATOM 0 H TYR A 27 69.748 3.586 7.772 1.00 0.00 H new ATOM 0 HA TYR A 27 70.908 3.164 10.523 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.156 4.195 8.509 1.00 0.00 H new ATOM 0 HB3 TYR A 27 70.972 5.487 8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.987 3.703 11.182 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.811 7.469 9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.337 4.923 12.890 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.166 8.690 11.121 1.00 0.00 H new ATOM 0 HH TYR A 27 74.516 8.529 12.909 1.00 0.00 H new ATOM 469 N THR A 28 68.570 5.347 9.728 1.00 0.00 N ATOM 470 CA THR A 28 67.494 6.182 10.351 1.00 0.00 C ATOM 471 C THR A 28 66.365 6.433 9.347 1.00 0.00 C ATOM 472 O THR A 28 66.570 6.390 8.149 1.00 0.00 O ATOM 473 CB THR A 28 68.170 7.504 10.733 1.00 0.00 C ATOM 474 OG1 THR A 28 68.987 7.947 9.657 1.00 0.00 O ATOM 475 CG2 THR A 28 69.029 7.305 11.982 1.00 0.00 C ATOM 0 H THR A 28 68.628 5.409 8.712 1.00 0.00 H new ATOM 0 HA THR A 28 67.050 5.689 11.216 1.00 0.00 H new ATOM 0 HB THR A 28 67.405 8.252 10.941 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.909 7.646 9.801 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.507 8.248 12.249 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.400 6.971 12.807 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.794 6.554 11.782 1.00 0.00 H new ATOM 483 N VAL A 29 65.176 6.699 9.835 1.00 0.00 N ATOM 484 CA VAL A 29 64.015 6.944 8.923 1.00 0.00 C ATOM 485 C VAL A 29 63.117 8.052 9.500 1.00 0.00 C ATOM 486 O VAL A 29 62.970 8.176 10.702 1.00 0.00 O ATOM 487 CB VAL A 29 63.279 5.593 8.840 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.749 5.186 10.222 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.108 5.700 7.857 1.00 0.00 C ATOM 0 H VAL A 29 64.960 6.757 10.830 1.00 0.00 H new ATOM 0 HA VAL A 29 64.319 7.285 7.933 1.00 0.00 H new ATOM 0 HB VAL A 29 63.981 4.835 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.232 4.230 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.582 5.094 10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.056 5.946 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.591 4.742 7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.414 6.468 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.485 5.966 6.870 1.00 0.00 H new ATOM 499 N ASP A 30 62.520 8.852 8.648 1.00 0.00 N ATOM 500 CA ASP A 30 61.590 9.918 9.127 1.00 0.00 C ATOM 501 C ASP A 30 60.261 9.823 8.359 1.00 0.00 C ATOM 502 O ASP A 30 60.178 10.285 7.237 1.00 0.00 O ATOM 503 CB ASP A 30 62.302 11.235 8.810 1.00 0.00 C ATOM 504 CG ASP A 30 61.792 12.329 9.749 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.668 12.765 9.565 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.535 12.711 10.638 1.00 0.00 O ATOM 0 H ASP A 30 62.639 8.810 7.636 1.00 0.00 H new ATOM 0 HA ASP A 30 61.359 9.830 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.379 11.115 8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.122 11.518 7.773 1.00 0.00 H new ATOM 511 N PRO A 31 59.257 9.224 8.981 1.00 0.00 N ATOM 512 CA PRO A 31 57.964 8.989 8.278 1.00 0.00 C ATOM 513 C PRO A 31 57.311 10.318 7.881 1.00 0.00 C ATOM 514 O PRO A 31 56.724 10.435 6.821 1.00 0.00 O ATOM 515 CB PRO A 31 57.106 8.242 9.305 1.00 0.00 C ATOM 516 CG PRO A 31 57.760 8.485 10.627 1.00 0.00 C ATOM 517 CD PRO A 31 59.221 8.720 10.363 1.00 0.00 C ATOM 0 HA PRO A 31 58.088 8.426 7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.080 8.611 9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.063 7.177 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.315 9.347 11.124 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.621 7.630 11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.642 9.443 11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.798 7.801 10.468 1.00 0.00 H new ATOM 525 N GLN A 32 57.423 11.322 8.712 1.00 0.00 N ATOM 526 CA GLN A 32 56.647 12.581 8.477 1.00 0.00 C ATOM 527 C GLN A 32 57.348 13.441 7.420 1.00 0.00 C ATOM 528 O GLN A 32 56.712 14.204 6.715 1.00 0.00 O ATOM 529 CB GLN A 32 56.597 13.301 9.827 1.00 0.00 C ATOM 530 CG GLN A 32 55.781 12.473 10.822 1.00 0.00 C ATOM 531 CD GLN A 32 55.796 13.154 12.192 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.780 13.756 12.576 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.738 13.084 12.953 1.00 0.00 N ATOM 0 H GLN A 32 58.016 11.327 9.542 1.00 0.00 H new ATOM 0 HA GLN A 32 55.643 12.378 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.607 13.452 10.207 1.00 0.00 H new ATOM 0 HB3 GLN A 32 56.150 14.288 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.755 12.368 10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 32 56.195 11.468 10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.912 12.579 12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.738 13.534 13.868 1.00 0.00 H new ATOM 542 N GLU A 33 58.648 13.324 7.305 1.00 0.00 N ATOM 543 CA GLU A 33 59.374 14.034 6.205 1.00 0.00 C ATOM 544 C GLU A 33 59.428 13.176 4.928 1.00 0.00 C ATOM 545 O GLU A 33 60.021 13.576 3.943 1.00 0.00 O ATOM 546 CB GLU A 33 60.787 14.269 6.746 1.00 0.00 C ATOM 547 CG GLU A 33 60.733 15.273 7.901 1.00 0.00 C ATOM 548 CD GLU A 33 62.155 15.612 8.361 1.00 0.00 C ATOM 549 OE1 GLU A 33 62.990 14.722 8.360 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.384 16.759 8.707 1.00 0.00 O ATOM 0 H GLU A 33 59.238 12.768 7.924 1.00 0.00 H new ATOM 0 HA GLU A 33 58.874 14.963 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.218 13.328 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.433 14.646 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.218 16.180 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 33 60.162 14.856 8.731 1.00 0.00 H new ATOM 557 N CYS A 34 58.816 12.000 4.926 1.00 0.00 N ATOM 558 CA CYS A 34 58.909 11.074 3.742 1.00 0.00 C ATOM 559 C CYS A 34 60.371 10.889 3.293 1.00 0.00 C ATOM 560 O CYS A 34 60.666 10.857 2.110 1.00 0.00 O ATOM 561 CB CYS A 34 58.086 11.750 2.639 1.00 0.00 C ATOM 562 SG CYS A 34 56.324 11.495 2.959 1.00 0.00 S ATOM 0 H CYS A 34 58.255 11.645 5.700 1.00 0.00 H new ATOM 0 HA CYS A 34 58.536 10.078 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.310 12.816 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.353 11.337 1.666 1.00 0.00 H new ATOM 0 HG CYS A 34 55.626 12.070 2.025 1.00 0.00 H new ATOM 568 N THR A 35 61.282 10.765 4.229 1.00 0.00 N ATOM 569 CA THR A 35 62.732 10.691 3.862 1.00 0.00 C ATOM 570 C THR A 35 63.427 9.586 4.658 1.00 0.00 C ATOM 571 O THR A 35 62.996 9.224 5.734 1.00 0.00 O ATOM 572 CB THR A 35 63.313 12.059 4.232 1.00 0.00 C ATOM 573 OG1 THR A 35 62.840 12.448 5.514 1.00 0.00 O ATOM 574 CG2 THR A 35 62.891 13.098 3.190 1.00 0.00 C ATOM 0 H THR A 35 61.085 10.712 5.228 1.00 0.00 H new ATOM 0 HA THR A 35 62.873 10.461 2.806 1.00 0.00 H new ATOM 0 HB THR A 35 64.401 11.994 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.214 13.323 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.306 14.070 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.263 12.801 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.803 13.164 3.161 1.00 0.00 H new ATOM 582 N ILE A 36 64.499 9.050 4.130 1.00 0.00 N ATOM 583 CA ILE A 36 65.264 8.000 4.871 1.00 0.00 C ATOM 584 C ILE A 36 66.769 8.188 4.649 1.00 0.00 C ATOM 585 O ILE A 36 67.185 8.859 3.724 1.00 0.00 O ATOM 586 CB ILE A 36 64.787 6.652 4.299 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.027 6.598 2.780 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.291 6.472 4.582 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.842 5.163 2.283 1.00 0.00 C ATOM 0 H ILE A 36 64.878 9.295 3.215 1.00 0.00 H new ATOM 0 HA ILE A 36 65.093 8.054 5.946 1.00 0.00 H new ATOM 0 HB ILE A 36 65.352 5.851 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.332 7.264 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.033 6.947 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.956 5.517 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.120 6.489 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.732 7.282 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.012 5.126 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.554 4.509 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.827 4.830 2.502 1.00 0.00 H new ATOM 601 N ALA A 37 67.581 7.599 5.492 1.00 0.00 N ATOM 602 CA ALA A 37 69.059 7.653 5.282 1.00 0.00 C ATOM 603 C ALA A 37 69.670 6.278 5.547 1.00 0.00 C ATOM 604 O ALA A 37 69.436 5.676 6.581 1.00 0.00 O ATOM 605 CB ALA A 37 69.581 8.680 6.291 1.00 0.00 C ATOM 0 H ALA A 37 67.282 7.082 6.319 1.00 0.00 H new ATOM 0 HA ALA A 37 69.320 7.932 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.663 8.770 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.117 9.647 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.335 8.354 7.302 1.00 0.00 H new ATOM 611 N LEU A 38 70.448 5.783 4.618 1.00 0.00 N ATOM 612 CA LEU A 38 71.061 4.432 4.779 1.00 0.00 C ATOM 613 C LEU A 38 72.565 4.575 5.003 1.00 0.00 C ATOM 614 O LEU A 38 73.189 5.477 4.476 1.00 0.00 O ATOM 615 CB LEU A 38 70.785 3.701 3.461 1.00 0.00 C ATOM 616 CG LEU A 38 69.275 3.536 3.259 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.003 3.022 1.845 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.727 2.531 4.278 1.00 0.00 C ATOM 0 H LEU A 38 70.686 6.261 3.749 1.00 0.00 H new ATOM 0 HA LEU A 38 70.652 3.890 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.212 4.261 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.268 2.724 3.470 1.00 0.00 H new ATOM 0 HG LEU A 38 68.785 4.499 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.929 2.904 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.391 3.735 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.495 2.059 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.653 2.415 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.218 1.568 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.920 2.895 5.287 1.00 0.00 H new ATOM 630 N SER A 39 73.149 3.695 5.776 1.00 0.00 N ATOM 631 CA SER A 39 74.607 3.805 6.072 1.00 0.00 C ATOM 632 C SER A 39 75.327 2.594 5.489 1.00 0.00 C ATOM 633 O SER A 39 74.755 1.525 5.391 1.00 0.00 O ATOM 634 CB SER A 39 74.709 3.813 7.596 1.00 0.00 C ATOM 635 OG SER A 39 74.278 2.556 8.102 1.00 0.00 O ATOM 0 H SER A 39 72.677 2.904 6.215 1.00 0.00 H new ATOM 0 HA SER A 39 75.060 4.697 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.737 4.008 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.096 4.614 8.009 1.00 0.00 H new ATOM 0 HG SER A 39 74.344 2.557 9.080 1.00 0.00 H new ATOM 641 N SER A 40 76.576 2.754 5.103 1.00 0.00 N ATOM 642 CA SER A 40 77.311 1.668 4.370 1.00 0.00 C ATOM 643 C SER A 40 76.426 1.083 3.256 1.00 0.00 C ATOM 644 O SER A 40 75.736 0.095 3.443 1.00 0.00 O ATOM 645 CB SER A 40 77.671 0.615 5.428 1.00 0.00 C ATOM 646 OG SER A 40 76.519 -0.133 5.789 1.00 0.00 O ATOM 0 H SER A 40 77.122 3.600 5.267 1.00 0.00 H new ATOM 0 HA SER A 40 78.211 2.040 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.440 -0.053 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.088 1.102 6.309 1.00 0.00 H new ATOM 0 HG SER A 40 75.753 0.168 5.257 1.00 0.00 H new ATOM 652 N VAL A 41 76.442 1.712 2.108 1.00 0.00 N ATOM 653 CA VAL A 41 75.601 1.248 0.965 1.00 0.00 C ATOM 654 C VAL A 41 76.442 1.244 -0.323 1.00 0.00 C ATOM 655 O VAL A 41 77.384 2.005 -0.458 1.00 0.00 O ATOM 656 CB VAL A 41 74.437 2.254 0.895 1.00 0.00 C ATOM 657 CG1 VAL A 41 74.967 3.652 0.568 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.431 1.829 -0.183 1.00 0.00 C ATOM 0 H VAL A 41 77.009 2.537 1.913 1.00 0.00 H new ATOM 0 HA VAL A 41 75.227 0.232 1.089 1.00 0.00 H new ATOM 0 HB VAL A 41 73.940 2.273 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.135 4.355 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.665 3.967 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.479 3.631 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.613 2.549 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 41 73.929 1.793 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.035 0.843 0.058 1.00 0.00 H new ATOM 668 N ARG A 42 76.108 0.396 -1.262 1.00 0.00 N ATOM 669 CA ARG A 42 76.866 0.349 -2.551 1.00 0.00 C ATOM 670 C ARG A 42 75.895 0.240 -3.734 1.00 0.00 C ATOM 671 O ARG A 42 74.797 -0.266 -3.595 1.00 0.00 O ATOM 672 CB ARG A 42 77.763 -0.896 -2.452 1.00 0.00 C ATOM 673 CG ARG A 42 76.911 -2.165 -2.287 1.00 0.00 C ATOM 674 CD ARG A 42 77.817 -3.347 -1.931 1.00 0.00 C ATOM 675 NE ARG A 42 76.919 -4.547 -1.905 1.00 0.00 N ATOM 676 CZ ARG A 42 77.396 -5.758 -1.689 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.677 -5.968 -1.489 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.576 -6.773 -1.674 1.00 0.00 N ATOM 0 H ARG A 42 75.339 -0.270 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 42 77.456 1.250 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.379 -0.979 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.442 -0.795 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.166 -2.016 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.369 -2.374 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.612 -3.468 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.298 -3.196 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 42 75.918 -4.425 -2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.330 -5.184 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.019 -6.915 -1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.579 -6.625 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 42 76.932 -7.714 -1.508 1.00 0.00 H new ATOM 692 N SER A 43 76.295 0.715 -4.889 1.00 0.00 N ATOM 693 CA SER A 43 75.438 0.578 -6.106 1.00 0.00 C ATOM 694 C SER A 43 76.072 -0.426 -7.071 1.00 0.00 C ATOM 695 O SER A 43 77.268 -0.402 -7.299 1.00 0.00 O ATOM 696 CB SER A 43 75.403 1.976 -6.725 1.00 0.00 C ATOM 697 OG SER A 43 76.697 2.307 -7.211 1.00 0.00 O ATOM 0 H SER A 43 77.183 1.194 -5.040 1.00 0.00 H new ATOM 0 HA SER A 43 74.436 0.215 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.677 2.008 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.083 2.707 -5.983 1.00 0.00 H new ATOM 0 HG SER A 43 76.723 3.257 -7.452 1.00 0.00 H new ATOM 703 N PHE A 44 75.283 -1.306 -7.639 1.00 0.00 N ATOM 704 CA PHE A 44 75.868 -2.415 -8.459 1.00 0.00 C ATOM 705 C PHE A 44 76.167 -1.949 -9.888 1.00 0.00 C ATOM 706 O PHE A 44 77.170 -2.328 -10.465 1.00 0.00 O ATOM 707 CB PHE A 44 74.804 -3.513 -8.464 1.00 0.00 C ATOM 708 CG PHE A 44 74.808 -4.356 -7.211 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.609 -5.521 -7.145 1.00 0.00 C ATOM 710 CD2 PHE A 44 74.015 -3.978 -6.101 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.617 -6.310 -5.969 1.00 0.00 C ATOM 712 CE2 PHE A 44 74.022 -4.765 -4.924 1.00 0.00 C ATOM 713 CZ PHE A 44 74.824 -5.931 -4.858 1.00 0.00 C ATOM 0 H PHE A 44 74.265 -1.305 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 44 76.815 -2.762 -8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.821 -3.056 -8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.962 -4.158 -9.328 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.214 -5.808 -7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.404 -3.089 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 44 76.227 -7.200 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.417 -4.477 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.831 -6.531 -3.960 1.00 0.00 H new ATOM 723 N GLY A 45 75.314 -1.135 -10.465 1.00 0.00 N ATOM 724 CA GLY A 45 75.608 -0.589 -11.823 1.00 0.00 C ATOM 725 C GLY A 45 74.361 0.069 -12.418 1.00 0.00 C ATOM 726 O GLY A 45 73.287 0.025 -11.848 1.00 0.00 O ATOM 0 H GLY A 45 74.432 -0.828 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.416 0.140 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.951 -1.391 -12.477 1.00 0.00 H new ATOM 730 N THR A 46 74.509 0.681 -13.569 1.00 0.00 N ATOM 731 CA THR A 46 73.322 1.157 -14.350 1.00 0.00 C ATOM 732 C THR A 46 73.236 0.424 -15.703 1.00 0.00 C ATOM 733 O THR A 46 72.408 0.749 -16.534 1.00 0.00 O ATOM 734 CB THR A 46 73.555 2.657 -14.568 1.00 0.00 C ATOM 735 OG1 THR A 46 74.912 2.883 -14.926 1.00 0.00 O ATOM 736 CG2 THR A 46 73.226 3.433 -13.289 1.00 0.00 C ATOM 0 H THR A 46 75.411 0.873 -14.005 1.00 0.00 H new ATOM 0 HA THR A 46 72.387 0.962 -13.825 1.00 0.00 H new ATOM 0 HB THR A 46 72.904 3.003 -15.371 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.058 3.842 -15.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.395 4.497 -13.455 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.182 3.269 -13.022 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.867 3.086 -12.478 1.00 0.00 H new ATOM 744 N GLU A 47 74.084 -0.562 -15.921 1.00 0.00 N ATOM 745 CA GLU A 47 74.288 -1.137 -17.295 1.00 0.00 C ATOM 746 C GLU A 47 72.967 -1.552 -17.964 1.00 0.00 C ATOM 747 O GLU A 47 72.882 -1.611 -19.177 1.00 0.00 O ATOM 748 CB GLU A 47 75.174 -2.369 -17.085 1.00 0.00 C ATOM 749 CG GLU A 47 76.573 -1.925 -16.653 1.00 0.00 C ATOM 750 CD GLU A 47 77.469 -3.154 -16.486 1.00 0.00 C ATOM 751 OE1 GLU A 47 77.302 -3.855 -15.501 1.00 0.00 O ATOM 752 OE2 GLU A 47 78.307 -3.373 -17.344 1.00 0.00 O ATOM 0 H GLU A 47 74.651 -0.998 -15.193 1.00 0.00 H new ATOM 0 HA GLU A 47 74.735 -0.395 -17.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.737 -3.019 -16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.233 -2.949 -18.006 1.00 0.00 H new ATOM 0 HG2 GLU A 47 76.998 -1.250 -17.396 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.517 -1.372 -15.715 1.00 0.00 H new ATOM 759 N ASP A 48 71.943 -1.842 -17.197 1.00 0.00 N ATOM 760 CA ASP A 48 70.660 -2.324 -17.811 1.00 0.00 C ATOM 761 C ASP A 48 70.040 -1.232 -18.694 1.00 0.00 C ATOM 762 O ASP A 48 69.839 -1.425 -19.880 1.00 0.00 O ATOM 763 CB ASP A 48 69.737 -2.644 -16.633 1.00 0.00 C ATOM 764 CG ASP A 48 70.298 -3.829 -15.843 1.00 0.00 C ATOM 765 OD1 ASP A 48 70.745 -4.777 -16.469 1.00 0.00 O ATOM 766 OD2 ASP A 48 70.272 -3.769 -14.624 1.00 0.00 O ATOM 0 H ASP A 48 71.937 -1.767 -16.180 1.00 0.00 H new ATOM 0 HA ASP A 48 70.821 -3.193 -18.448 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.645 -1.773 -15.984 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.736 -2.878 -16.996 1.00 0.00 H new ATOM 771 N ARG A 49 69.737 -0.092 -18.124 1.00 0.00 N ATOM 772 CA ARG A 49 69.201 1.049 -18.934 1.00 0.00 C ATOM 773 C ARG A 49 70.325 2.006 -19.368 1.00 0.00 C ATOM 774 O ARG A 49 70.061 3.081 -19.874 1.00 0.00 O ATOM 775 CB ARG A 49 68.214 1.765 -18.012 1.00 0.00 C ATOM 776 CG ARG A 49 67.004 0.862 -17.761 1.00 0.00 C ATOM 777 CD ARG A 49 65.794 1.721 -17.382 1.00 0.00 C ATOM 778 NE ARG A 49 65.420 2.444 -18.638 1.00 0.00 N ATOM 779 CZ ARG A 49 64.796 1.832 -19.629 1.00 0.00 C ATOM 780 NH1 ARG A 49 64.485 0.558 -19.565 1.00 0.00 N ATOM 781 NH2 ARG A 49 64.486 2.510 -20.701 1.00 0.00 N ATOM 0 H ARG A 49 69.838 0.100 -17.127 1.00 0.00 H new ATOM 0 HA ARG A 49 68.729 0.699 -19.852 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.697 2.014 -17.067 1.00 0.00 H new ATOM 0 HB3 ARG A 49 67.893 2.704 -18.464 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.782 0.277 -18.654 1.00 0.00 H new ATOM 0 HG3 ARG A 49 67.225 0.154 -16.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 64.970 1.105 -17.022 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.042 2.420 -16.583 1.00 0.00 H new ATOM 0 HE ARG A 49 65.652 3.433 -18.731 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.725 0.015 -18.735 1.00 0.00 H new ATOM 0 HH12 ARG A 49 64.003 0.111 -20.345 1.00 0.00 H new ATOM 0 HH21 ARG A 49 64.726 3.499 -20.766 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.004 2.050 -21.474 1.00 0.00 H new ATOM 795 N ASP A 50 71.570 1.629 -19.179 1.00 0.00 N ATOM 796 CA ASP A 50 72.698 2.607 -19.354 1.00 0.00 C ATOM 797 C ASP A 50 72.722 3.193 -20.775 1.00 0.00 C ATOM 798 O ASP A 50 71.992 2.765 -21.649 1.00 0.00 O ATOM 799 CB ASP A 50 73.986 1.809 -19.079 1.00 0.00 C ATOM 800 CG ASP A 50 74.174 0.684 -20.114 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.211 0.334 -20.778 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.286 0.194 -20.223 1.00 0.00 O ATOM 0 H ASP A 50 71.855 0.687 -18.911 1.00 0.00 H new ATOM 0 HA ASP A 50 72.589 3.454 -18.677 1.00 0.00 H new ATOM 0 HB2 ASP A 50 74.845 2.479 -19.106 1.00 0.00 H new ATOM 0 HB3 ASP A 50 73.946 1.382 -18.077 1.00 0.00 H new ATOM 807 N THR A 51 73.567 4.171 -20.991 1.00 0.00 N ATOM 808 CA THR A 51 73.756 4.734 -22.363 1.00 0.00 C ATOM 809 C THR A 51 74.778 3.893 -23.130 1.00 0.00 C ATOM 810 O THR A 51 75.509 3.111 -22.548 1.00 0.00 O ATOM 811 CB THR A 51 74.281 6.156 -22.150 1.00 0.00 C ATOM 812 OG1 THR A 51 73.459 6.827 -21.205 1.00 0.00 O ATOM 813 CG2 THR A 51 74.258 6.914 -23.479 1.00 0.00 C ATOM 0 H THR A 51 74.139 4.607 -20.268 1.00 0.00 H new ATOM 0 HA THR A 51 72.833 4.731 -22.943 1.00 0.00 H new ATOM 0 HB THR A 51 75.304 6.114 -21.776 1.00 0.00 H new ATOM 0 HG1 THR A 51 73.795 7.737 -21.067 1.00 0.00 H new ATOM 0 HG21 THR A 51 74.632 7.927 -23.327 1.00 0.00 H new ATOM 0 HG22 THR A 51 74.890 6.399 -24.203 1.00 0.00 H new ATOM 0 HG23 THR A 51 73.236 6.957 -23.855 1.00 0.00 H new ATOM 821 N GLN A 52 74.834 4.049 -24.429 1.00 0.00 N ATOM 822 CA GLN A 52 75.804 3.245 -25.245 1.00 0.00 C ATOM 823 C GLN A 52 77.236 3.808 -25.128 1.00 0.00 C ATOM 824 O GLN A 52 78.145 3.325 -25.778 1.00 0.00 O ATOM 825 CB GLN A 52 75.303 3.322 -26.699 1.00 0.00 C ATOM 826 CG GLN A 52 75.249 4.779 -27.184 1.00 0.00 C ATOM 827 CD GLN A 52 75.103 4.805 -28.706 1.00 0.00 C ATOM 828 OE1 GLN A 52 74.020 4.625 -29.227 1.00 0.00 O ATOM 829 NE2 GLN A 52 76.155 5.023 -29.447 1.00 0.00 N ATOM 0 H GLN A 52 74.253 4.696 -24.962 1.00 0.00 H new ATOM 0 HA GLN A 52 75.851 2.215 -24.893 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.962 2.743 -27.346 1.00 0.00 H new ATOM 0 HB3 GLN A 52 74.312 2.874 -26.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 74.411 5.297 -26.719 1.00 0.00 H new ATOM 0 HG3 GLN A 52 76.155 5.306 -26.886 1.00 0.00 H new ATOM 0 HE21 GLN A 52 77.064 5.174 -29.010 1.00 0.00 H new ATOM 0 HE22 GLN A 52 76.068 5.042 -30.463 1.00 0.00 H new ATOM 838 N PHE A 53 77.443 4.819 -24.311 1.00 0.00 N ATOM 839 CA PHE A 53 78.836 5.243 -23.969 1.00 0.00 C ATOM 840 C PHE A 53 79.270 4.580 -22.657 1.00 0.00 C ATOM 841 O PHE A 53 78.444 4.182 -21.856 1.00 0.00 O ATOM 842 CB PHE A 53 78.765 6.766 -23.815 1.00 0.00 C ATOM 843 CG PHE A 53 79.015 7.528 -25.100 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.459 7.074 -26.323 1.00 0.00 C ATOM 845 CD2 PHE A 53 79.807 8.702 -25.078 1.00 0.00 C ATOM 846 CE1 PHE A 53 78.695 7.794 -27.519 1.00 0.00 C ATOM 847 CE2 PHE A 53 80.043 9.422 -26.275 1.00 0.00 C ATOM 848 CZ PHE A 53 79.486 8.967 -27.496 1.00 0.00 C ATOM 0 H PHE A 53 76.705 5.366 -23.868 1.00 0.00 H new ATOM 0 HA PHE A 53 79.561 4.953 -24.729 1.00 0.00 H new ATOM 0 HB2 PHE A 53 77.782 7.036 -23.430 1.00 0.00 H new ATOM 0 HB3 PHE A 53 79.496 7.080 -23.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.855 6.179 -26.342 1.00 0.00 H new ATOM 0 HD2 PHE A 53 80.232 9.049 -24.147 1.00 0.00 H new ATOM 0 HE1 PHE A 53 78.271 7.448 -28.450 1.00 0.00 H new ATOM 0 HE2 PHE A 53 80.647 10.317 -26.257 1.00 0.00 H new ATOM 0 HZ PHE A 53 79.665 9.515 -28.409 1.00 0.00 H new ATOM 858 N GLN A 54 80.556 4.461 -22.435 1.00 0.00 N ATOM 859 CA GLN A 54 81.050 3.743 -21.215 1.00 0.00 C ATOM 860 C GLN A 54 80.764 4.566 -19.954 1.00 0.00 C ATOM 861 O GLN A 54 80.917 5.774 -19.947 1.00 0.00 O ATOM 862 CB GLN A 54 82.561 3.586 -21.416 1.00 0.00 C ATOM 863 CG GLN A 54 82.829 2.659 -22.605 1.00 0.00 C ATOM 864 CD GLN A 54 84.337 2.558 -22.850 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.065 3.510 -22.646 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.841 1.435 -23.283 1.00 0.00 N ATOM 0 H GLN A 54 81.286 4.829 -23.045 1.00 0.00 H new ATOM 0 HA GLN A 54 80.555 2.781 -21.086 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.018 4.560 -21.592 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.017 3.178 -20.514 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.416 1.670 -22.408 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.331 3.041 -23.496 1.00 0.00 H new ATOM 0 HE21 GLN A 54 84.232 0.635 -23.455 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.844 1.357 -23.450 1.00 0.00 H new ATOM 875 N ILE A 55 80.349 3.917 -18.892 1.00 0.00 N ATOM 876 CA ILE A 55 80.117 4.638 -17.600 1.00 0.00 C ATOM 877 C ILE A 55 81.106 4.129 -16.543 1.00 0.00 C ATOM 878 O ILE A 55 81.334 2.939 -16.420 1.00 0.00 O ATOM 879 CB ILE A 55 78.668 4.312 -17.193 1.00 0.00 C ATOM 880 CG1 ILE A 55 77.701 4.767 -18.296 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.322 5.047 -15.892 1.00 0.00 C ATOM 882 CD1 ILE A 55 76.301 4.219 -18.011 1.00 0.00 C ATOM 0 H ILE A 55 80.160 2.915 -18.865 1.00 0.00 H new ATOM 0 HA ILE A 55 80.265 5.714 -17.695 1.00 0.00 H new ATOM 0 HB ILE A 55 78.575 3.236 -17.047 1.00 0.00 H new ATOM 0 HG12 ILE A 55 77.674 5.856 -18.343 1.00 0.00 H new ATOM 0 HG13 ILE A 55 78.049 4.415 -19.267 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.296 4.815 -15.605 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.001 4.727 -15.102 1.00 0.00 H new ATOM 0 HG23 ILE A 55 78.423 6.122 -16.043 1.00 0.00 H new ATOM 0 HD11 ILE A 55 75.617 4.543 -18.795 1.00 0.00 H new ATOM 0 HD12 ILE A 55 76.335 3.130 -17.986 1.00 0.00 H new ATOM 0 HD13 ILE A 55 75.953 4.593 -17.048 1.00 0.00 H new ATOM 894 N ALA A 56 81.691 5.024 -15.786 1.00 0.00 N ATOM 895 CA ALA A 56 82.674 4.604 -14.736 1.00 0.00 C ATOM 896 C ALA A 56 81.953 3.836 -13.611 1.00 0.00 C ATOM 897 O ALA A 56 81.162 4.420 -12.895 1.00 0.00 O ATOM 898 CB ALA A 56 83.267 5.906 -14.193 1.00 0.00 C ATOM 0 H ALA A 56 81.531 6.029 -15.849 1.00 0.00 H new ATOM 0 HA ALA A 56 83.443 3.943 -15.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 83.998 5.677 -13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 56 83.755 6.449 -15.002 1.00 0.00 H new ATOM 0 HB3 ALA A 56 82.471 6.520 -13.772 1.00 0.00 H new ATOM 904 N PRO A 57 82.242 2.550 -13.481 1.00 0.00 N ATOM 905 CA PRO A 57 81.587 1.735 -12.422 1.00 0.00 C ATOM 906 C PRO A 57 82.041 2.200 -11.032 1.00 0.00 C ATOM 907 O PRO A 57 83.182 2.576 -10.839 1.00 0.00 O ATOM 908 CB PRO A 57 82.062 0.307 -12.702 1.00 0.00 C ATOM 909 CG PRO A 57 83.303 0.455 -13.520 1.00 0.00 C ATOM 910 CD PRO A 57 83.180 1.745 -14.283 1.00 0.00 C ATOM 0 HA PRO A 57 80.500 1.820 -12.434 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.264 -0.229 -11.775 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.303 -0.261 -13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 57 84.186 0.468 -12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 57 83.417 -0.387 -14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 84.145 2.241 -14.385 1.00 0.00 H new ATOM 0 HD3 PRO A 57 82.800 1.577 -15.291 1.00 0.00 H new ATOM 918 N GLN A 58 81.151 2.175 -10.069 1.00 0.00 N ATOM 919 CA GLN A 58 81.516 2.617 -8.689 1.00 0.00 C ATOM 920 C GLN A 58 81.851 1.404 -7.816 1.00 0.00 C ATOM 921 O GLN A 58 81.001 0.580 -7.534 1.00 0.00 O ATOM 922 CB GLN A 58 80.270 3.330 -8.158 1.00 0.00 C ATOM 923 CG GLN A 58 80.037 4.617 -8.954 1.00 0.00 C ATOM 924 CD GLN A 58 78.743 5.288 -8.483 1.00 0.00 C ATOM 925 OE1 GLN A 58 77.795 4.621 -8.118 1.00 0.00 O ATOM 926 NE2 GLN A 58 78.664 6.591 -8.477 1.00 0.00 N ATOM 0 H GLN A 58 80.185 1.866 -10.181 1.00 0.00 H new ATOM 0 HA GLN A 58 82.392 3.266 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 79.401 2.677 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.394 3.562 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.879 5.296 -8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.974 4.391 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.459 7.152 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.807 7.049 -8.166 1.00 0.00 H new ATOM 935 N SER A 59 83.086 1.295 -7.388 1.00 0.00 N ATOM 936 CA SER A 59 83.490 0.146 -6.521 1.00 0.00 C ATOM 937 C SER A 59 83.571 0.588 -5.056 1.00 0.00 C ATOM 938 O SER A 59 83.292 -0.180 -4.154 1.00 0.00 O ATOM 939 CB SER A 59 84.869 -0.269 -7.031 1.00 0.00 C ATOM 940 OG SER A 59 85.218 -1.528 -6.472 1.00 0.00 O ATOM 0 H SER A 59 83.833 1.955 -7.603 1.00 0.00 H new ATOM 0 HA SER A 59 82.774 -0.675 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 59 84.863 -0.331 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.611 0.481 -6.758 1.00 0.00 H new ATOM 0 HG SER A 59 86.102 -1.797 -6.799 1.00 0.00 H new ATOM 946 N GLN A 60 83.950 1.822 -4.817 1.00 0.00 N ATOM 947 CA GLN A 60 84.080 2.323 -3.408 1.00 0.00 C ATOM 948 C GLN A 60 82.723 2.282 -2.692 1.00 0.00 C ATOM 949 O GLN A 60 81.682 2.392 -3.314 1.00 0.00 O ATOM 950 CB GLN A 60 84.568 3.770 -3.531 1.00 0.00 C ATOM 951 CG GLN A 60 85.985 3.784 -4.109 1.00 0.00 C ATOM 952 CD GLN A 60 86.468 5.231 -4.235 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.732 6.094 -4.669 1.00 0.00 O ATOM 954 NE2 GLN A 60 87.685 5.534 -3.872 1.00 0.00 N ATOM 0 H GLN A 60 84.176 2.507 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 60 84.767 1.708 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.896 4.338 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.558 4.253 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.658 3.219 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.996 3.299 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 88.304 4.810 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 60 88.017 6.495 -3.953 1.00 0.00 H new ATOM 963 N ILE A 61 82.737 2.124 -1.390 1.00 0.00 N ATOM 964 CA ILE A 61 81.456 2.081 -0.617 1.00 0.00 C ATOM 965 C ILE A 61 81.156 3.466 -0.032 1.00 0.00 C ATOM 966 O ILE A 61 82.052 4.176 0.389 1.00 0.00 O ATOM 967 CB ILE A 61 81.698 1.060 0.512 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.132 -0.303 -0.072 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.416 0.876 1.333 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.061 -0.854 -1.025 1.00 0.00 C ATOM 0 H ILE A 61 83.582 2.023 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 61 80.606 1.800 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 61 82.493 1.439 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.076 -0.191 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.305 -1.012 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.594 0.153 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.123 1.831 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.618 0.513 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.388 -1.814 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.125 -0.987 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 80.909 -0.153 -1.846 1.00 0.00 H new ATOM 982 N TYR A 62 79.904 3.851 -0.004 1.00 0.00 N ATOM 983 CA TYR A 62 79.535 5.190 0.551 1.00 0.00 C ATOM 984 C TYR A 62 79.139 5.059 2.025 1.00 0.00 C ATOM 985 O TYR A 62 78.186 4.379 2.358 1.00 0.00 O ATOM 986 CB TYR A 62 78.339 5.650 -0.282 1.00 0.00 C ATOM 987 CG TYR A 62 78.659 5.834 -1.748 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.416 6.952 -2.173 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.199 4.888 -2.696 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.714 7.126 -3.547 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.497 5.061 -4.070 1.00 0.00 C ATOM 992 CZ TYR A 62 79.254 6.180 -4.495 1.00 0.00 C ATOM 993 OH TYR A 62 79.544 6.349 -5.833 1.00 0.00 O ATOM 0 H TYR A 62 79.120 3.294 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 62 80.362 5.898 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.535 4.920 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.966 6.592 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.767 7.673 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.621 4.035 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.291 7.979 -3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.147 4.340 -4.793 1.00 0.00 H new ATOM 0 HH TYR A 62 80.398 6.820 -5.926 1.00 0.00 H new ATOM 1003 N ASP A 63 79.872 5.705 2.905 1.00 0.00 N ATOM 1004 CA ASP A 63 79.541 5.661 4.374 1.00 0.00 C ATOM 1005 C ASP A 63 78.068 6.011 4.636 1.00 0.00 C ATOM 1006 O ASP A 63 77.408 5.379 5.441 1.00 0.00 O ATOM 1007 CB ASP A 63 80.444 6.720 5.012 1.00 0.00 C ATOM 1008 CG ASP A 63 81.906 6.274 4.920 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.168 5.111 5.184 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.737 7.101 4.584 1.00 0.00 O ATOM 0 H ASP A 63 80.691 6.265 2.669 1.00 0.00 H new ATOM 0 HA ASP A 63 79.698 4.663 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.313 7.676 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.164 6.870 6.055 1.00 0.00 H new ATOM 1015 N TYR A 64 77.555 7.011 3.961 1.00 0.00 N ATOM 1016 CA TYR A 64 76.164 7.483 4.241 1.00 0.00 C ATOM 1017 C TYR A 64 75.560 8.120 2.987 1.00 0.00 C ATOM 1018 O TYR A 64 76.174 8.958 2.352 1.00 0.00 O ATOM 1019 CB TYR A 64 76.320 8.531 5.347 1.00 0.00 C ATOM 1020 CG TYR A 64 75.014 8.979 5.970 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.055 9.688 5.199 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.754 8.703 7.335 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.843 10.115 5.793 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.539 9.131 7.926 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.586 9.837 7.156 1.00 0.00 C ATOM 1026 OH TYR A 64 71.404 10.254 7.735 1.00 0.00 O ATOM 0 H TYR A 64 78.043 7.522 3.225 1.00 0.00 H new ATOM 0 HA TYR A 64 75.502 6.669 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.961 8.124 6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.831 9.402 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.250 9.902 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.482 8.166 7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.114 10.653 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.341 8.918 8.966 1.00 0.00 H new ATOM 0 HH TYR A 64 71.387 9.981 8.676 1.00 0.00 H new ATOM 1036 N ILE A 65 74.362 7.727 2.628 1.00 0.00 N ATOM 1037 CA ILE A 65 73.635 8.426 1.520 1.00 0.00 C ATOM 1038 C ILE A 65 72.217 8.795 1.978 1.00 0.00 C ATOM 1039 O ILE A 65 71.473 7.958 2.458 1.00 0.00 O ATOM 1040 CB ILE A 65 73.598 7.433 0.345 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.035 7.123 -0.105 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.817 8.045 -0.831 1.00 0.00 C ATOM 1043 CD1 ILE A 65 75.024 6.093 -1.244 1.00 0.00 C ATOM 0 H ILE A 65 73.855 6.951 3.054 1.00 0.00 H new ATOM 0 HA ILE A 65 74.127 9.354 1.228 1.00 0.00 H new ATOM 0 HB ILE A 65 73.106 6.515 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.525 8.038 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.612 6.740 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.794 7.338 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.798 8.267 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.305 8.965 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.048 5.882 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.553 5.173 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.464 6.492 -2.090 1.00 0.00 H new ATOM 1055 N LEU A 66 71.848 10.046 1.831 1.00 0.00 N ATOM 1056 CA LEU A 66 70.453 10.474 2.160 1.00 0.00 C ATOM 1057 C LEU A 66 69.567 10.348 0.918 1.00 0.00 C ATOM 1058 O LEU A 66 69.964 10.710 -0.174 1.00 0.00 O ATOM 1059 CB LEU A 66 70.572 11.938 2.591 1.00 0.00 C ATOM 1060 CG LEU A 66 69.230 12.423 3.144 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.975 11.778 4.508 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.262 13.945 3.297 1.00 0.00 C ATOM 0 H LEU A 66 72.458 10.792 1.495 1.00 0.00 H new ATOM 0 HA LEU A 66 70.003 9.861 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.348 12.042 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.871 12.554 1.743 1.00 0.00 H new ATOM 0 HG LEU A 66 68.432 12.143 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.019 12.124 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.952 10.694 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.773 12.056 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.306 14.291 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.061 14.225 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.442 14.405 2.325 1.00 0.00 H new ATOM 1074 N PHE A 67 68.371 9.839 1.080 1.00 0.00 N ATOM 1075 CA PHE A 67 67.486 9.596 -0.099 1.00 0.00 C ATOM 1076 C PHE A 67 66.053 10.046 0.201 1.00 0.00 C ATOM 1077 O PHE A 67 65.492 9.713 1.226 1.00 0.00 O ATOM 1078 CB PHE A 67 67.535 8.083 -0.321 1.00 0.00 C ATOM 1079 CG PHE A 67 68.647 7.636 -1.241 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.852 8.293 -2.479 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.474 6.546 -0.874 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.881 7.861 -3.348 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.506 6.117 -1.742 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.710 6.773 -2.979 1.00 0.00 C ATOM 0 H PHE A 67 67.969 9.581 1.981 1.00 0.00 H new ATOM 0 HA PHE A 67 67.812 10.153 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.653 7.588 0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.581 7.755 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.222 9.124 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.317 6.042 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 67 70.035 8.361 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 67 71.138 5.288 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.497 6.445 -3.641 1.00 0.00 H new ATOM 1094 N ARG A 68 65.466 10.805 -0.692 1.00 0.00 N ATOM 1095 CA ARG A 68 64.029 11.192 -0.534 1.00 0.00 C ATOM 1096 C ARG A 68 63.125 10.166 -1.229 1.00 0.00 C ATOM 1097 O ARG A 68 63.503 9.560 -2.217 1.00 0.00 O ATOM 1098 CB ARG A 68 63.904 12.559 -1.214 1.00 0.00 C ATOM 1099 CG ARG A 68 64.739 13.593 -0.452 1.00 0.00 C ATOM 1100 CD ARG A 68 64.587 14.964 -1.116 1.00 0.00 C ATOM 1101 NE ARG A 68 65.652 15.823 -0.503 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.621 17.138 -0.611 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.659 17.754 -1.259 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.571 17.843 -0.061 1.00 0.00 N ATOM 0 H ARG A 68 65.922 11.174 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 68 63.727 11.229 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.243 12.494 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.859 12.869 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.415 13.643 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.787 13.295 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.713 14.893 -2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.595 15.380 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 68 66.417 15.382 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.911 17.215 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 68 64.660 18.772 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 67.325 17.377 0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.560 18.860 -0.136 1.00 0.00 H new ATOM 1118 N GLY A 69 61.932 9.968 -0.717 1.00 0.00 N ATOM 1119 CA GLY A 69 60.978 9.002 -1.354 1.00 0.00 C ATOM 1120 C GLY A 69 60.681 9.414 -2.805 1.00 0.00 C ATOM 1121 O GLY A 69 60.326 8.589 -3.626 1.00 0.00 O ATOM 0 H GLY A 69 61.577 10.435 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.401 7.998 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.050 8.968 -0.783 1.00 0.00 H new ATOM 1125 N SER A 70 60.822 10.681 -3.124 1.00 0.00 N ATOM 1126 CA SER A 70 60.514 11.153 -4.514 1.00 0.00 C ATOM 1127 C SER A 70 61.499 10.552 -5.527 1.00 0.00 C ATOM 1128 O SER A 70 61.114 10.164 -6.615 1.00 0.00 O ATOM 1129 CB SER A 70 60.663 12.675 -4.468 1.00 0.00 C ATOM 1130 OG SER A 70 59.832 13.197 -3.440 1.00 0.00 O ATOM 0 H SER A 70 61.137 11.408 -2.482 1.00 0.00 H new ATOM 0 HA SER A 70 59.516 10.848 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.703 12.945 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.387 13.108 -5.429 1.00 0.00 H new ATOM 0 HG SER A 70 59.926 14.172 -3.407 1.00 0.00 H new ATOM 1136 N ASP A 71 62.761 10.475 -5.176 1.00 0.00 N ATOM 1137 CA ASP A 71 63.790 10.006 -6.163 1.00 0.00 C ATOM 1138 C ASP A 71 63.822 8.474 -6.235 1.00 0.00 C ATOM 1139 O ASP A 71 64.059 7.907 -7.286 1.00 0.00 O ATOM 1140 CB ASP A 71 65.135 10.572 -5.672 1.00 0.00 C ATOM 1141 CG ASP A 71 65.465 10.055 -4.267 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.788 8.886 -4.146 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.394 10.841 -3.338 1.00 0.00 O ATOM 0 H ASP A 71 63.123 10.715 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 71 63.563 10.352 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.928 10.288 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 71 65.094 11.661 -5.663 1.00 0.00 H new ATOM 1148 N ILE A 72 63.591 7.802 -5.132 1.00 0.00 N ATOM 1149 CA ILE A 72 63.557 6.306 -5.155 1.00 0.00 C ATOM 1150 C ILE A 72 62.109 5.809 -5.038 1.00 0.00 C ATOM 1151 O ILE A 72 61.313 6.349 -4.294 1.00 0.00 O ATOM 1152 CB ILE A 72 64.447 5.880 -3.972 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.911 5.981 -4.419 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.153 4.434 -3.544 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.815 6.181 -3.207 1.00 0.00 C ATOM 0 H ILE A 72 63.425 8.225 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 72 63.928 5.874 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 72 64.245 6.532 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.200 5.076 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 72 66.031 6.813 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.797 4.164 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.110 4.349 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.343 3.761 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.852 6.252 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.534 7.099 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.706 5.335 -2.528 1.00 0.00 H new ATOM 1167 N LYS A 73 61.778 4.778 -5.780 1.00 0.00 N ATOM 1168 CA LYS A 73 60.343 4.435 -6.002 1.00 0.00 C ATOM 1169 C LYS A 73 59.931 3.179 -5.228 1.00 0.00 C ATOM 1170 O LYS A 73 58.764 3.005 -4.922 1.00 0.00 O ATOM 1171 CB LYS A 73 60.231 4.193 -7.508 1.00 0.00 C ATOM 1172 CG LYS A 73 58.756 4.079 -7.902 1.00 0.00 C ATOM 1173 CD LYS A 73 58.648 3.766 -9.396 1.00 0.00 C ATOM 1174 CE LYS A 73 57.173 3.682 -9.795 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.760 2.294 -9.448 1.00 0.00 N ATOM 0 H LYS A 73 62.445 4.159 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 73 59.685 5.230 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.701 5.011 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.762 3.281 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.273 3.294 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.236 5.010 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.149 4.540 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.150 2.824 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.576 4.418 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 73 57.040 3.880 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.784 2.131 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.396 1.616 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.811 2.164 -8.417 1.00 0.00 H new ATOM 1189 N ASP A 74 60.855 2.300 -4.902 1.00 0.00 N ATOM 1190 CA ASP A 74 60.436 1.012 -4.257 1.00 0.00 C ATOM 1191 C ASP A 74 61.511 0.486 -3.300 1.00 0.00 C ATOM 1192 O ASP A 74 62.693 0.566 -3.570 1.00 0.00 O ATOM 1193 CB ASP A 74 60.216 0.037 -5.414 1.00 0.00 C ATOM 1194 CG ASP A 74 59.534 -1.230 -4.894 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.319 -1.218 -4.771 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.236 -2.192 -4.630 1.00 0.00 O ATOM 0 H ASP A 74 61.858 2.415 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 74 59.538 1.143 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.601 0.503 -6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.170 -0.215 -5.877 1.00 0.00 H new ATOM 1201 N ILE A 75 61.089 -0.053 -2.178 1.00 0.00 N ATOM 1202 CA ILE A 75 62.051 -0.606 -1.178 1.00 0.00 C ATOM 1203 C ILE A 75 61.574 -1.985 -0.692 1.00 0.00 C ATOM 1204 O ILE A 75 60.388 -2.245 -0.612 1.00 0.00 O ATOM 1205 CB ILE A 75 62.063 0.420 -0.028 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.080 -0.009 1.035 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.673 0.524 0.615 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.433 1.189 1.918 1.00 0.00 C ATOM 0 H ILE A 75 60.107 -0.132 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 75 63.049 -0.753 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 75 62.340 1.393 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.668 -0.814 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 75 63.979 -0.399 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.700 1.253 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 75 59.948 0.842 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.382 -0.449 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.156 0.883 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.863 1.980 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.532 1.559 2.407 1.00 0.00 H new ATOM 1220 N ARG A 76 62.493 -2.863 -0.370 1.00 0.00 N ATOM 1221 CA ARG A 76 62.108 -4.199 0.183 1.00 0.00 C ATOM 1222 C ARG A 76 63.162 -4.683 1.186 1.00 0.00 C ATOM 1223 O ARG A 76 64.344 -4.684 0.900 1.00 0.00 O ATOM 1224 CB ARG A 76 62.046 -5.132 -1.027 1.00 0.00 C ATOM 1225 CG ARG A 76 60.783 -4.838 -1.840 1.00 0.00 C ATOM 1226 CD ARG A 76 60.643 -5.873 -2.958 1.00 0.00 C ATOM 1227 NE ARG A 76 59.386 -5.500 -3.680 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.195 -5.776 -3.183 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.053 -6.372 -2.021 1.00 0.00 N ATOM 1230 NH2 ARG A 76 57.131 -5.444 -3.861 1.00 0.00 N ATOM 0 H ARG A 76 63.497 -2.711 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 76 61.158 -4.164 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.931 -4.996 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 76 62.045 -6.171 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.906 -4.866 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.835 -3.835 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 76 61.503 -5.850 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 76 60.581 -6.883 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 76 59.452 -5.021 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.876 -6.634 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 76 57.120 -6.573 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.226 -4.977 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 76 56.204 -5.651 -3.489 1.00 0.00 H new ATOM 1244 N VAL A 77 62.737 -5.092 2.357 1.00 0.00 N ATOM 1245 CA VAL A 77 63.706 -5.578 3.393 1.00 0.00 C ATOM 1246 C VAL A 77 63.968 -7.076 3.198 1.00 0.00 C ATOM 1247 O VAL A 77 63.088 -7.818 2.799 1.00 0.00 O ATOM 1248 CB VAL A 77 63.024 -5.319 4.749 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.961 -5.730 5.889 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.695 -3.827 4.891 1.00 0.00 C ATOM 0 H VAL A 77 61.758 -5.111 2.642 1.00 0.00 H new ATOM 0 HA VAL A 77 64.668 -5.070 3.327 1.00 0.00 H new ATOM 0 HB VAL A 77 62.106 -5.905 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.473 -5.544 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.197 -6.791 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.881 -5.148 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.213 -3.651 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.615 -3.245 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 77 62.024 -3.524 4.087 1.00 0.00 H new ATOM 1260 N VAL A 78 65.170 -7.523 3.476 1.00 0.00 N ATOM 1261 CA VAL A 78 65.494 -8.976 3.308 1.00 0.00 C ATOM 1262 C VAL A 78 65.279 -9.711 4.637 1.00 0.00 C ATOM 1263 O VAL A 78 65.830 -9.337 5.657 1.00 0.00 O ATOM 1264 CB VAL A 78 66.974 -9.023 2.893 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.395 -10.473 2.635 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.183 -8.211 1.609 1.00 0.00 C ATOM 0 H VAL A 78 65.940 -6.945 3.812 1.00 0.00 H new ATOM 0 HA VAL A 78 64.859 -9.458 2.565 1.00 0.00 H new ATOM 0 HB VAL A 78 67.576 -8.601 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.444 -10.500 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.257 -11.059 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.784 -10.893 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.234 -8.249 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.573 -8.631 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.892 -7.175 1.782 1.00 0.00 H new ATOM 1276 N ASN A 79 64.482 -10.751 4.627 1.00 0.00 N ATOM 1277 CA ASN A 79 64.219 -11.521 5.883 1.00 0.00 C ATOM 1278 C ASN A 79 63.814 -12.962 5.550 1.00 0.00 C ATOM 1279 O ASN A 79 63.746 -13.343 4.395 1.00 0.00 O ATOM 1280 CB ASN A 79 63.075 -10.774 6.590 1.00 0.00 C ATOM 1281 CG ASN A 79 61.835 -10.707 5.687 1.00 0.00 C ATOM 1282 OD1 ASN A 79 61.303 -11.724 5.291 1.00 0.00 O ATOM 1283 ND2 ASN A 79 61.355 -9.543 5.346 1.00 0.00 N ATOM 0 H ASN A 79 64.000 -11.101 3.799 1.00 0.00 H new ATOM 0 HA ASN A 79 65.103 -11.585 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 79 62.825 -11.279 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 79 63.397 -9.766 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 79 60.532 -9.487 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 79 61.803 -8.689 5.679 1.00 0.00 H new ATOM 1290 N ASN A 80 63.546 -13.759 6.555 1.00 0.00 N ATOM 1291 CA ASN A 80 63.125 -15.175 6.311 1.00 0.00 C ATOM 1292 C ASN A 80 62.064 -15.598 7.334 1.00 0.00 C ATOM 1293 O ASN A 80 61.738 -14.855 8.243 1.00 0.00 O ATOM 1294 CB ASN A 80 64.406 -16.014 6.465 1.00 0.00 C ATOM 1295 CG ASN A 80 65.009 -15.826 7.864 1.00 0.00 C ATOM 1296 OD1 ASN A 80 64.374 -16.124 8.856 1.00 0.00 O ATOM 1297 ND2 ASN A 80 66.214 -15.342 7.982 1.00 0.00 N ATOM 0 H ASN A 80 63.601 -13.490 7.537 1.00 0.00 H new ATOM 0 HA ASN A 80 62.678 -15.307 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 80 64.180 -17.067 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 80 65.133 -15.721 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 80 66.624 -15.214 8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 80 66.747 -15.092 7.149 1.00 0.00 H new ATOM 1304 N HIS A 81 61.525 -16.784 7.188 1.00 0.00 N ATOM 1305 CA HIS A 81 60.485 -17.269 8.145 1.00 0.00 C ATOM 1306 C HIS A 81 61.001 -18.494 8.907 1.00 0.00 C ATOM 1307 O HIS A 81 61.486 -19.441 8.316 1.00 0.00 O ATOM 1308 CB HIS A 81 59.290 -17.649 7.271 1.00 0.00 C ATOM 1309 CG HIS A 81 57.991 -17.727 8.027 1.00 0.00 C ATOM 1310 ND1 HIS A 81 57.299 -16.594 8.425 1.00 0.00 N ATOM 1311 CD2 HIS A 81 57.246 -18.795 8.464 1.00 0.00 C ATOM 1312 CE1 HIS A 81 56.191 -17.001 9.071 1.00 0.00 C ATOM 1313 NE2 HIS A 81 56.110 -18.333 9.124 1.00 0.00 N ATOM 0 H HIS A 81 61.763 -17.439 6.443 1.00 0.00 H new ATOM 0 HA HIS A 81 60.224 -16.516 8.889 1.00 0.00 H new ATOM 0 HB2 HIS A 81 59.190 -16.918 6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 81 59.486 -18.613 6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 81 57.502 -19.834 8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 81 55.457 -16.332 9.495 1.00 0.00 H new ATOM 0 HE2 HIS A 81 55.374 -18.892 9.555 1.00 0.00 H new ATOM 1321 N THR A 82 60.899 -18.476 10.214 1.00 0.00 N ATOM 1322 CA THR A 82 61.410 -19.620 11.029 1.00 0.00 C ATOM 1323 C THR A 82 60.253 -20.529 11.454 1.00 0.00 C ATOM 1324 O THR A 82 59.107 -20.118 11.473 1.00 0.00 O ATOM 1325 CB THR A 82 62.064 -18.977 12.255 1.00 0.00 C ATOM 1326 OG1 THR A 82 61.133 -18.108 12.885 1.00 0.00 O ATOM 1327 CG2 THR A 82 63.298 -18.182 11.823 1.00 0.00 C ATOM 0 H THR A 82 60.483 -17.716 10.752 1.00 0.00 H new ATOM 0 HA THR A 82 62.112 -20.240 10.471 1.00 0.00 H new ATOM 0 HB THR A 82 62.366 -19.756 12.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 61.549 -17.697 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.761 -17.726 12.698 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.012 -18.851 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 82 63.001 -17.402 11.121 1.00 0.00 H new ATOM 1335 N LEU A 83 60.549 -21.761 11.793 1.00 0.00 N ATOM 1336 CA LEU A 83 59.478 -22.706 12.231 1.00 0.00 C ATOM 1337 C LEU A 83 60.069 -23.786 13.156 1.00 0.00 C ATOM 1338 O LEU A 83 60.811 -24.633 12.696 1.00 0.00 O ATOM 1339 CB LEU A 83 58.961 -23.339 10.938 1.00 0.00 C ATOM 1340 CG LEU A 83 57.547 -23.877 11.161 1.00 0.00 C ATOM 1341 CD1 LEU A 83 56.851 -24.056 9.812 1.00 0.00 C ATOM 1342 CD2 LEU A 83 57.624 -25.228 11.877 1.00 0.00 C ATOM 0 H LEU A 83 61.491 -22.152 11.784 1.00 0.00 H new ATOM 0 HA LEU A 83 58.687 -22.205 12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 83 58.958 -22.601 10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 83 59.623 -24.146 10.626 1.00 0.00 H new ATOM 0 HG LEU A 83 56.982 -23.172 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 83 55.843 -24.439 9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 83 56.797 -23.095 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 83 57.416 -24.761 9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 83 56.617 -25.613 12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 83 58.189 -25.932 11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 83 58.121 -25.102 12.839 1.00 0.00 H new ATOM 1354 N PRO A 84 59.728 -23.731 14.434 1.00 0.00 N ATOM 1355 CA PRO A 84 60.239 -24.747 15.392 1.00 0.00 C ATOM 1356 C PRO A 84 59.601 -26.111 15.111 1.00 0.00 C ATOM 1357 O PRO A 84 58.386 -26.202 15.181 1.00 0.00 O ATOM 1358 CB PRO A 84 59.810 -24.215 16.760 1.00 0.00 C ATOM 1359 CG PRO A 84 58.665 -23.294 16.485 1.00 0.00 C ATOM 1360 CD PRO A 84 58.860 -22.743 15.098 1.00 0.00 C ATOM 1361 OXT PRO A 84 60.339 -27.042 14.830 1.00 0.00 O ATOM 0 HA PRO A 84 61.317 -24.893 15.323 1.00 0.00 H new ATOM 0 HB2 PRO A 84 59.511 -25.028 17.422 1.00 0.00 H new ATOM 0 HB3 PRO A 84 60.628 -23.689 17.252 1.00 0.00 H new ATOM 0 HG2 PRO A 84 57.717 -23.827 16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 84 58.635 -22.488 17.218 1.00 0.00 H new ATOM 0 HD2 PRO A 84 57.909 -22.634 14.576 1.00 0.00 H new ATOM 0 HD3 PRO A 84 59.325 -21.758 15.123 1.00 0.00 H new TER 1369 PRO A 84