USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 THR OG1 : rot 180:sc= 0.784 USER MOD Set 1.2: A 73 THR OG1 : rot 89:sc= 0.895 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0296 (180deg=-0.337) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -116:sc= 0.504 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 30 THR OG1 : rot -4:sc= 0.0664 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 42:sc= 0.0769 USER MOD Single : A 35 MET CE :methyl 174:sc= 0 (180deg=-0.0438) USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.232) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0.938 (180deg=0.933) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00521 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 41:sc= 0.435 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.318 7.185 11.771 1.00 0.00 N ATOM 2 CA MET A 1 -5.461 6.428 12.347 1.00 0.00 C ATOM 3 C MET A 1 -6.204 5.669 11.237 1.00 0.00 C ATOM 4 O MET A 1 -5.812 4.556 10.839 1.00 0.00 O ATOM 5 CB MET A 1 -6.451 7.326 13.121 1.00 0.00 C ATOM 6 CG MET A 1 -5.853 8.076 14.322 1.00 0.00 C ATOM 7 SD MET A 1 -6.161 7.352 15.960 1.00 0.00 S ATOM 8 CE MET A 1 -5.299 8.532 17.037 1.00 0.00 C ATOM 0 H1 MET A 1 -3.620 7.380 12.517 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.873 6.622 11.019 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.661 8.083 11.374 1.00 0.00 H new ATOM 0 HA MET A 1 -5.041 5.724 13.065 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.871 8.056 12.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.277 6.709 13.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.775 8.148 14.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.244 9.093 14.319 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.401 8.218 18.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.243 8.564 16.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.735 9.523 16.913 1.00 0.00 H new ATOM 17 N LYS A 2 -7.293 6.253 10.713 1.00 0.00 N ATOM 18 CA LYS A 2 -7.941 5.817 9.459 1.00 0.00 C ATOM 19 C LYS A 2 -7.070 6.095 8.227 1.00 0.00 C ATOM 20 O LYS A 2 -6.338 7.085 8.187 1.00 0.00 O ATOM 21 CB LYS A 2 -9.315 6.493 9.284 1.00 0.00 C ATOM 22 CG LYS A 2 -10.432 5.792 10.071 1.00 0.00 C ATOM 23 CD LYS A 2 -11.772 6.513 9.847 1.00 0.00 C ATOM 24 CE LYS A 2 -12.964 5.764 10.457 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.380 4.596 9.633 1.00 0.00 N ATOM 0 H LYS A 2 -7.756 7.050 11.150 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.076 4.738 9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.247 7.532 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.576 6.505 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.513 4.752 9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.188 5.784 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.718 7.512 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.937 6.637 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.702 5.424 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.805 6.449 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.188 4.122 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.656 4.921 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.587 3.928 9.553 1.00 0.00 H new ATOM 39 N ILE A 3 -7.204 5.233 7.220 1.00 0.00 N ATOM 40 CA ILE A 3 -6.501 5.233 5.926 1.00 0.00 C ATOM 41 C ILE A 3 -7.478 4.797 4.820 1.00 0.00 C ATOM 42 O ILE A 3 -8.294 3.900 5.040 1.00 0.00 O ATOM 43 CB ILE A 3 -5.287 4.262 5.983 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.264 4.570 7.101 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.550 4.164 4.635 1.00 0.00 C ATOM 46 CD1 ILE A 3 -3.463 5.868 6.945 1.00 0.00 C ATOM 0 H ILE A 3 -7.857 4.453 7.288 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.134 6.236 5.709 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.742 3.301 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.796 4.608 8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.562 3.739 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.711 3.474 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.236 3.800 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.180 5.149 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.779 5.977 7.787 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.893 5.834 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.147 6.717 6.921 1.00 0.00 H new ATOM 58 N LYS A 4 -7.378 5.375 3.620 1.00 0.00 N ATOM 59 CA LYS A 4 -7.974 4.831 2.386 1.00 0.00 C ATOM 60 C LYS A 4 -6.925 4.105 1.543 1.00 0.00 C ATOM 61 O LYS A 4 -5.792 4.571 1.412 1.00 0.00 O ATOM 62 CB LYS A 4 -8.656 5.936 1.555 1.00 0.00 C ATOM 63 CG LYS A 4 -10.159 6.059 1.849 1.00 0.00 C ATOM 64 CD LYS A 4 -10.829 7.024 0.853 1.00 0.00 C ATOM 65 CE LYS A 4 -12.362 7.038 0.973 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.834 7.771 2.180 1.00 0.00 N ATOM 0 H LYS A 4 -6.873 6.249 3.471 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.737 4.112 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.171 6.890 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.514 5.727 0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.629 5.078 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.308 6.418 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.447 8.032 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.552 6.741 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.788 7.499 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.730 6.012 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.322 7.111 2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.019 8.190 2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.491 8.525 1.894 1.00 0.00 H new ATOM 80 N ILE A 5 -7.340 3.026 0.888 1.00 0.00 N ATOM 81 CA ILE A 5 -6.576 2.351 -0.169 1.00 0.00 C ATOM 82 C ILE A 5 -7.477 2.046 -1.370 1.00 0.00 C ATOM 83 O ILE A 5 -8.593 1.561 -1.197 1.00 0.00 O ATOM 84 CB ILE A 5 -5.819 1.115 0.378 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.900 0.516 -0.713 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.765 0.043 0.954 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.857 -0.473 -0.176 1.00 0.00 C ATOM 0 H ILE A 5 -8.238 2.581 1.078 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.799 3.024 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.203 1.460 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.517 0.010 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.385 1.328 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.179 -0.799 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.342 0.470 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.444 -0.301 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.252 -0.848 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.214 0.032 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.363 -1.306 0.311 1.00 0.00 H new ATOM 99 N VAL A 6 -6.997 2.328 -2.584 1.00 0.00 N ATOM 100 CA VAL A 6 -7.688 2.021 -3.849 1.00 0.00 C ATOM 101 C VAL A 6 -6.802 1.153 -4.754 1.00 0.00 C ATOM 102 O VAL A 6 -5.849 1.653 -5.362 1.00 0.00 O ATOM 103 CB VAL A 6 -8.230 3.294 -4.534 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.208 4.403 -4.798 1.00 0.00 C ATOM 105 CG2 VAL A 6 -8.942 2.958 -5.850 1.00 0.00 C ATOM 0 H VAL A 6 -6.097 2.787 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.573 1.425 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.926 3.695 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.702 5.246 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.774 4.730 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.419 4.024 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.312 3.875 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.242 2.471 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.779 2.289 -5.650 1.00 0.00 H new ATOM 115 N PRO A 7 -7.073 -0.163 -4.843 1.00 0.00 N ATOM 116 CA PRO A 7 -6.346 -1.057 -5.730 1.00 0.00 C ATOM 117 C PRO A 7 -7.034 -1.207 -7.098 1.00 0.00 C ATOM 118 O PRO A 7 -8.259 -1.315 -7.199 1.00 0.00 O ATOM 119 CB PRO A 7 -6.255 -2.365 -4.943 1.00 0.00 C ATOM 120 CG PRO A 7 -7.599 -2.419 -4.215 1.00 0.00 C ATOM 121 CD PRO A 7 -7.899 -0.945 -3.926 1.00 0.00 C ATOM 0 HA PRO A 7 -5.357 -0.680 -5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.117 -3.223 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.417 -2.360 -4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.373 -2.874 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.537 -3.005 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.957 -0.728 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.667 -0.698 -2.890 1.00 0.00 H new ATOM 129 N ALA A 8 -6.236 -1.256 -8.168 1.00 0.00 N ATOM 130 CA ALA A 8 -6.683 -1.420 -9.558 1.00 0.00 C ATOM 131 C ALA A 8 -7.079 -2.880 -9.914 1.00 0.00 C ATOM 132 O ALA A 8 -6.625 -3.438 -10.919 1.00 0.00 O ATOM 133 CB ALA A 8 -5.584 -0.847 -10.467 1.00 0.00 C ATOM 0 H ALA A 8 -5.222 -1.180 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.610 -0.868 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.883 -0.952 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.435 0.208 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.654 -1.390 -10.300 1.00 0.00 H new ATOM 139 N VAL A 9 -7.898 -3.525 -9.073 1.00 0.00 N ATOM 140 CA VAL A 9 -8.256 -4.955 -9.155 1.00 0.00 C ATOM 141 C VAL A 9 -9.619 -5.233 -8.504 1.00 0.00 C ATOM 142 O VAL A 9 -10.046 -4.488 -7.618 1.00 0.00 O ATOM 143 CB VAL A 9 -7.132 -5.798 -8.509 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.163 -5.724 -6.976 1.00 0.00 C ATOM 145 CG2 VAL A 9 -7.164 -7.271 -8.928 1.00 0.00 C ATOM 0 H VAL A 9 -8.347 -3.053 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.352 -5.238 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.208 -5.355 -8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.356 -6.331 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.035 -4.689 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.120 -6.099 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.350 -7.806 -8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.116 -7.712 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.049 -7.344 -10.009 1.00 0.00 H new ATOM 155 N GLY A 10 -10.301 -6.307 -8.916 1.00 0.00 N ATOM 156 CA GLY A 10 -11.553 -6.765 -8.297 1.00 0.00 C ATOM 157 C GLY A 10 -12.670 -5.720 -8.381 1.00 0.00 C ATOM 158 O GLY A 10 -13.138 -5.392 -9.474 1.00 0.00 O ATOM 0 H GLY A 10 -9.998 -6.890 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.881 -7.682 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.368 -7.010 -7.251 1.00 0.00 H new ATOM 162 N GLY A 11 -13.071 -5.166 -7.231 1.00 0.00 N ATOM 163 CA GLY A 11 -14.043 -4.067 -7.141 1.00 0.00 C ATOM 164 C GLY A 11 -13.548 -2.720 -7.698 1.00 0.00 C ATOM 165 O GLY A 11 -14.370 -1.864 -8.033 1.00 0.00 O ATOM 0 H GLY A 11 -12.725 -5.472 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.947 -4.356 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.322 -3.932 -6.096 1.00 0.00 H new ATOM 169 N GLY A 12 -12.228 -2.522 -7.831 1.00 0.00 N ATOM 170 CA GLY A 12 -11.618 -1.355 -8.490 1.00 0.00 C ATOM 171 C GLY A 12 -11.948 -0.009 -7.831 1.00 0.00 C ATOM 172 O GLY A 12 -12.112 0.993 -8.529 1.00 0.00 O ATOM 0 H GLY A 12 -11.538 -3.184 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.536 -1.484 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.947 -1.327 -9.529 1.00 0.00 H new ATOM 176 N SER A 13 -12.114 0.006 -6.503 1.00 0.00 N ATOM 177 CA SER A 13 -12.769 1.084 -5.742 1.00 0.00 C ATOM 178 C SER A 13 -12.110 1.305 -4.363 1.00 0.00 C ATOM 179 O SER A 13 -11.641 0.327 -3.768 1.00 0.00 O ATOM 180 CB SER A 13 -14.256 0.721 -5.594 1.00 0.00 C ATOM 181 OG SER A 13 -14.985 1.695 -4.867 1.00 0.00 O ATOM 0 H SER A 13 -11.787 -0.754 -5.907 1.00 0.00 H new ATOM 0 HA SER A 13 -12.660 2.025 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.698 0.605 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.343 -0.242 -5.092 1.00 0.00 H new ATOM 0 HG SER A 13 -15.923 1.420 -4.802 1.00 0.00 H new ATOM 187 N PRO A 14 -12.037 2.549 -3.836 1.00 0.00 N ATOM 188 CA PRO A 14 -11.450 2.839 -2.529 1.00 0.00 C ATOM 189 C PRO A 14 -12.167 2.123 -1.374 1.00 0.00 C ATOM 190 O PRO A 14 -13.397 2.047 -1.320 1.00 0.00 O ATOM 191 CB PRO A 14 -11.503 4.365 -2.357 1.00 0.00 C ATOM 192 CG PRO A 14 -12.612 4.798 -3.312 1.00 0.00 C ATOM 193 CD PRO A 14 -12.483 3.792 -4.452 1.00 0.00 C ATOM 0 HA PRO A 14 -10.426 2.466 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.729 4.644 -1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.551 4.830 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.594 4.752 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.472 5.822 -3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.436 3.655 -4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.768 4.137 -5.199 1.00 0.00 H new ATOM 201 N LEU A 15 -11.377 1.638 -0.415 1.00 0.00 N ATOM 202 CA LEU A 15 -11.813 1.007 0.831 1.00 0.00 C ATOM 203 C LEU A 15 -11.187 1.719 2.041 1.00 0.00 C ATOM 204 O LEU A 15 -9.985 1.991 2.064 1.00 0.00 O ATOM 205 CB LEU A 15 -11.450 -0.491 0.779 1.00 0.00 C ATOM 206 CG LEU A 15 -11.851 -1.303 2.025 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.369 -1.386 2.197 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.310 -2.726 1.909 1.00 0.00 C ATOM 0 H LEU A 15 -10.361 1.677 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.894 1.095 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.928 -0.935 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.374 -0.584 0.635 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.429 -0.790 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.603 -1.968 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.779 -0.381 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.808 -1.868 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.596 -3.297 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.724 -3.201 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.223 -2.697 1.832 1.00 0.00 H new ATOM 220 N GLU A 16 -11.995 2.008 3.063 1.00 0.00 N ATOM 221 CA GLU A 16 -11.525 2.550 4.345 1.00 0.00 C ATOM 222 C GLU A 16 -11.019 1.419 5.264 1.00 0.00 C ATOM 223 O GLU A 16 -11.702 0.405 5.471 1.00 0.00 O ATOM 224 CB GLU A 16 -12.633 3.346 5.062 1.00 0.00 C ATOM 225 CG GLU A 16 -13.104 4.583 4.268 1.00 0.00 C ATOM 226 CD GLU A 16 -13.958 5.567 5.076 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.261 5.280 6.262 1.00 0.00 O ATOM 228 OE2 GLU A 16 -14.302 6.632 4.507 1.00 0.00 O ATOM 0 H GLU A 16 -13.005 1.872 3.026 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.701 3.229 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.485 2.690 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.268 3.666 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.229 5.109 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.677 4.248 3.404 1.00 0.00 H new ATOM 235 N LEU A 17 -9.861 1.652 5.890 1.00 0.00 N ATOM 236 CA LEU A 17 -9.168 0.755 6.824 1.00 0.00 C ATOM 237 C LEU A 17 -8.517 1.553 7.971 1.00 0.00 C ATOM 238 O LEU A 17 -8.540 2.785 7.982 1.00 0.00 O ATOM 239 CB LEU A 17 -8.139 -0.101 6.038 1.00 0.00 C ATOM 240 CG LEU A 17 -8.751 -1.318 5.311 1.00 0.00 C ATOM 241 CD1 LEU A 17 -7.734 -1.906 4.342 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.147 -2.420 6.294 1.00 0.00 C ATOM 0 H LEU A 17 -9.351 2.524 5.751 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.886 0.080 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.641 0.533 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.373 -0.452 6.729 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.639 -0.967 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.171 -2.764 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.453 -1.152 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.848 -2.224 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.574 -3.260 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.265 -2.754 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.885 -2.033 6.997 1.00 0.00 H new ATOM 254 N GLU A 18 -7.941 0.846 8.943 1.00 0.00 N ATOM 255 CA GLU A 18 -7.312 1.402 10.146 1.00 0.00 C ATOM 256 C GLU A 18 -5.980 0.685 10.421 1.00 0.00 C ATOM 257 O GLU A 18 -5.910 -0.543 10.338 1.00 0.00 O ATOM 258 CB GLU A 18 -8.306 1.271 11.309 1.00 0.00 C ATOM 259 CG GLU A 18 -7.803 1.897 12.615 1.00 0.00 C ATOM 260 CD GLU A 18 -8.773 1.637 13.790 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.003 1.852 13.640 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.303 1.227 14.880 1.00 0.00 O ATOM 0 H GLU A 18 -7.897 -0.173 8.915 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.074 2.458 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.247 1.743 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.518 0.215 11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.821 1.490 12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.678 2.971 12.478 1.00 0.00 H new ATOM 269 N VAL A 19 -4.914 1.438 10.731 1.00 0.00 N ATOM 270 CA VAL A 19 -3.537 0.910 10.877 1.00 0.00 C ATOM 271 C VAL A 19 -2.807 1.470 12.106 1.00 0.00 C ATOM 272 O VAL A 19 -3.102 2.573 12.570 1.00 0.00 O ATOM 273 CB VAL A 19 -2.682 1.140 9.603 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.382 0.659 8.325 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.256 2.603 9.414 1.00 0.00 C ATOM 0 H VAL A 19 -4.978 2.443 10.891 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.657 -0.163 11.024 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.788 0.538 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.738 0.845 7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.586 -0.409 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.320 1.199 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.661 2.694 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.142 3.232 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.662 2.922 10.270 1.00 0.00 H new ATOM 285 N ALA A 20 -1.819 0.727 12.617 1.00 0.00 N ATOM 286 CA ALA A 20 -0.882 1.205 13.636 1.00 0.00 C ATOM 287 C ALA A 20 0.233 2.091 13.019 1.00 0.00 C ATOM 288 O ALA A 20 0.659 1.828 11.890 1.00 0.00 O ATOM 289 CB ALA A 20 -0.294 -0.018 14.355 1.00 0.00 C ATOM 0 H ALA A 20 -1.647 -0.236 12.329 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.410 1.836 14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.408 0.313 15.120 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.098 -0.587 14.822 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.226 -0.649 13.634 1.00 0.00 H new ATOM 295 N PRO A 21 0.791 3.078 13.753 1.00 0.00 N ATOM 296 CA PRO A 21 1.957 3.858 13.305 1.00 0.00 C ATOM 297 C PRO A 21 3.233 3.002 13.165 1.00 0.00 C ATOM 298 O PRO A 21 4.145 3.350 12.411 1.00 0.00 O ATOM 299 CB PRO A 21 2.121 4.958 14.359 1.00 0.00 C ATOM 300 CG PRO A 21 1.549 4.330 15.629 1.00 0.00 C ATOM 301 CD PRO A 21 0.395 3.483 15.098 1.00 0.00 C ATOM 0 HA PRO A 21 1.799 4.264 12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.167 5.238 14.487 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.580 5.863 14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.290 3.723 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.204 5.086 16.334 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.221 2.615 15.734 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.533 4.054 15.078 1.00 0.00 H new ATOM 309 N ASN A 22 3.281 1.854 13.848 1.00 0.00 N ATOM 310 CA ASN A 22 4.363 0.865 13.794 1.00 0.00 C ATOM 311 C ASN A 22 4.389 0.026 12.494 1.00 0.00 C ATOM 312 O ASN A 22 5.256 -0.839 12.349 1.00 0.00 O ATOM 313 CB ASN A 22 4.252 -0.043 15.036 1.00 0.00 C ATOM 314 CG ASN A 22 4.303 0.713 16.357 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.137 1.579 16.581 1.00 0.00 O ATOM 316 ND2 ASN A 22 3.410 0.413 17.275 1.00 0.00 N ATOM 0 H ASN A 22 2.533 1.576 14.483 1.00 0.00 H new ATOM 0 HA ASN A 22 5.308 1.409 13.792 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.317 -0.602 14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.061 -0.773 15.014 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.415 0.902 18.170 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.713 -0.309 17.092 1.00 0.00 H new ATOM 323 N ALA A 23 3.453 0.237 11.559 1.00 0.00 N ATOM 324 CA ALA A 23 3.367 -0.509 10.302 1.00 0.00 C ATOM 325 C ALA A 23 4.658 -0.374 9.465 1.00 0.00 C ATOM 326 O ALA A 23 5.056 0.732 9.084 1.00 0.00 O ATOM 327 CB ALA A 23 2.133 -0.032 9.522 1.00 0.00 C ATOM 0 H ALA A 23 2.724 0.943 11.659 1.00 0.00 H new ATOM 0 HA ALA A 23 3.260 -1.570 10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.061 -0.582 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.236 -0.208 10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.225 1.034 9.312 1.00 0.00 H new ATOM 333 N THR A 24 5.302 -1.507 9.164 1.00 0.00 N ATOM 334 CA THR A 24 6.498 -1.566 8.306 1.00 0.00 C ATOM 335 C THR A 24 6.122 -1.661 6.825 1.00 0.00 C ATOM 336 O THR A 24 5.103 -2.252 6.457 1.00 0.00 O ATOM 337 CB THR A 24 7.454 -2.722 8.674 1.00 0.00 C ATOM 338 OG1 THR A 24 6.911 -3.984 8.342 1.00 0.00 O ATOM 339 CG2 THR A 24 7.852 -2.747 10.149 1.00 0.00 C ATOM 0 H THR A 24 5.007 -2.420 9.511 1.00 0.00 H new ATOM 0 HA THR A 24 7.030 -0.631 8.484 1.00 0.00 H new ATOM 0 HB THR A 24 8.348 -2.528 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.546 -4.688 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.524 -3.586 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.357 -1.816 10.405 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.959 -2.857 10.765 1.00 0.00 H new ATOM 347 N VAL A 25 6.986 -1.135 5.951 1.00 0.00 N ATOM 348 CA VAL A 25 6.833 -1.269 4.488 1.00 0.00 C ATOM 349 C VAL A 25 6.950 -2.736 4.065 1.00 0.00 C ATOM 350 O VAL A 25 6.201 -3.181 3.197 1.00 0.00 O ATOM 351 CB VAL A 25 7.868 -0.400 3.744 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.752 -0.517 2.221 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.690 1.075 4.114 1.00 0.00 C ATOM 0 H VAL A 25 7.811 -0.605 6.231 1.00 0.00 H new ATOM 0 HA VAL A 25 5.839 -0.914 4.217 1.00 0.00 H new ATOM 0 HB VAL A 25 8.847 -0.767 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.504 0.115 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.910 -1.553 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.759 -0.196 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.427 1.675 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.688 1.401 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.828 1.200 5.188 1.00 0.00 H new ATOM 363 N GLY A 26 7.829 -3.505 4.722 1.00 0.00 N ATOM 364 CA GLY A 26 8.006 -4.939 4.481 1.00 0.00 C ATOM 365 C GLY A 26 6.712 -5.735 4.670 1.00 0.00 C ATOM 366 O GLY A 26 6.297 -6.434 3.746 1.00 0.00 O ATOM 0 H GLY A 26 8.446 -3.140 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.375 -5.090 3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.768 -5.326 5.158 1.00 0.00 H new ATOM 370 N ALA A 27 6.029 -5.564 5.810 1.00 0.00 N ATOM 371 CA ALA A 27 4.759 -6.246 6.088 1.00 0.00 C ATOM 372 C ALA A 27 3.646 -5.872 5.087 1.00 0.00 C ATOM 373 O ALA A 27 2.909 -6.749 4.630 1.00 0.00 O ATOM 374 CB ALA A 27 4.334 -5.919 7.524 1.00 0.00 C ATOM 0 H ALA A 27 6.341 -4.951 6.563 1.00 0.00 H new ATOM 0 HA ALA A 27 4.915 -7.319 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.391 -6.418 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.101 -6.264 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.208 -4.842 7.630 1.00 0.00 H new ATOM 380 N VAL A 28 3.557 -4.594 4.688 1.00 0.00 N ATOM 381 CA VAL A 28 2.603 -4.138 3.659 1.00 0.00 C ATOM 382 C VAL A 28 2.911 -4.781 2.299 1.00 0.00 C ATOM 383 O VAL A 28 2.017 -5.351 1.671 1.00 0.00 O ATOM 384 CB VAL A 28 2.580 -2.598 3.576 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.731 -2.081 2.411 1.00 0.00 C ATOM 386 CG2 VAL A 28 2.001 -1.996 4.863 1.00 0.00 C ATOM 0 H VAL A 28 4.141 -3.848 5.066 1.00 0.00 H new ATOM 0 HA VAL A 28 1.604 -4.463 3.950 1.00 0.00 H new ATOM 0 HB VAL A 28 3.616 -2.295 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.751 -0.991 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.133 -2.460 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.703 -2.424 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.993 -0.909 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.983 -2.357 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.615 -2.294 5.713 1.00 0.00 H new ATOM 396 N ARG A 29 4.182 -4.777 1.871 1.00 0.00 N ATOM 397 CA ARG A 29 4.629 -5.356 0.590 1.00 0.00 C ATOM 398 C ARG A 29 4.397 -6.870 0.530 1.00 0.00 C ATOM 399 O ARG A 29 3.896 -7.359 -0.483 1.00 0.00 O ATOM 400 CB ARG A 29 6.113 -4.997 0.378 1.00 0.00 C ATOM 401 CG ARG A 29 6.631 -5.169 -1.063 1.00 0.00 C ATOM 402 CD ARG A 29 6.460 -3.914 -1.937 1.00 0.00 C ATOM 403 NE ARG A 29 5.076 -3.722 -2.420 1.00 0.00 N ATOM 404 CZ ARG A 29 4.606 -3.986 -3.628 1.00 0.00 C ATOM 405 NH1 ARG A 29 5.341 -4.482 -4.578 1.00 0.00 N ATOM 406 NH2 ARG A 29 3.366 -3.745 -3.931 1.00 0.00 N ATOM 0 H ARG A 29 4.942 -4.365 2.412 1.00 0.00 H new ATOM 0 HA ARG A 29 4.034 -4.932 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.266 -3.961 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.718 -5.616 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.687 -5.437 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.106 -6.001 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.763 -3.037 -1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.130 -3.982 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 29 4.409 -3.344 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.326 -4.685 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.933 -4.669 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.739 -3.346 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.020 -3.955 -4.867 1.00 0.00 H new ATOM 420 N THR A 30 4.681 -7.611 1.607 1.00 0.00 N ATOM 421 CA THR A 30 4.432 -9.065 1.665 1.00 0.00 C ATOM 422 C THR A 30 2.943 -9.404 1.706 1.00 0.00 C ATOM 423 O THR A 30 2.537 -10.339 1.014 1.00 0.00 O ATOM 424 CB THR A 30 5.166 -9.764 2.824 1.00 0.00 C ATOM 425 OG1 THR A 30 4.831 -9.225 4.085 1.00 0.00 O ATOM 426 CG2 THR A 30 6.684 -9.697 2.658 1.00 0.00 C ATOM 0 H THR A 30 5.087 -7.228 2.460 1.00 0.00 H new ATOM 0 HA THR A 30 4.846 -9.453 0.734 1.00 0.00 H new ATOM 0 HB THR A 30 4.837 -10.802 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.235 -8.456 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.164 -10.202 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.970 -10.187 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.001 -8.655 2.632 1.00 0.00 H new ATOM 434 N LYS A 31 2.098 -8.632 2.416 1.00 0.00 N ATOM 435 CA LYS A 31 0.633 -8.815 2.356 1.00 0.00 C ATOM 436 C LYS A 31 0.088 -8.579 0.949 1.00 0.00 C ATOM 437 O LYS A 31 -0.695 -9.398 0.476 1.00 0.00 O ATOM 438 CB LYS A 31 -0.108 -7.926 3.371 1.00 0.00 C ATOM 439 CG LYS A 31 -0.078 -8.501 4.800 1.00 0.00 C ATOM 440 CD LYS A 31 -1.307 -8.095 5.629 1.00 0.00 C ATOM 441 CE LYS A 31 -2.564 -8.855 5.167 1.00 0.00 C ATOM 442 NZ LYS A 31 -3.757 -8.512 5.985 1.00 0.00 N ATOM 0 H LYS A 31 2.401 -7.880 3.035 1.00 0.00 H new ATOM 0 HA LYS A 31 0.447 -9.855 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.342 -6.933 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.144 -7.806 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.023 -9.588 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.825 -8.159 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.122 -8.300 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.473 -7.022 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.763 -8.623 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.381 -9.928 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.580 -9.046 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.578 -8.757 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.949 -7.493 5.909 1.00 0.00 H new ATOM 456 N VAL A 32 0.532 -7.528 0.254 1.00 0.00 N ATOM 457 CA VAL A 32 0.139 -7.263 -1.144 1.00 0.00 C ATOM 458 C VAL A 32 0.577 -8.399 -2.075 1.00 0.00 C ATOM 459 O VAL A 32 -0.247 -8.924 -2.824 1.00 0.00 O ATOM 460 CB VAL A 32 0.680 -5.899 -1.613 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.523 -5.697 -3.124 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.059 -4.765 -0.894 1.00 0.00 C ATOM 0 H VAL A 32 1.173 -6.834 0.639 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.949 -7.220 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 32 1.743 -5.883 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.919 -4.721 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.070 -6.476 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.533 -5.750 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.331 -3.805 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.124 -4.824 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.090 -4.858 0.182 1.00 0.00 H new ATOM 472 N CYS A 33 1.837 -8.837 -1.984 1.00 0.00 N ATOM 473 CA CYS A 33 2.383 -9.932 -2.791 1.00 0.00 C ATOM 474 C CYS A 33 1.607 -11.246 -2.576 1.00 0.00 C ATOM 475 O CYS A 33 1.225 -11.914 -3.538 1.00 0.00 O ATOM 476 CB CYS A 33 3.872 -10.065 -2.439 1.00 0.00 C ATOM 477 SG CYS A 33 4.681 -11.332 -3.456 1.00 0.00 S ATOM 0 H CYS A 33 2.516 -8.434 -1.338 1.00 0.00 H new ATOM 0 HA CYS A 33 2.275 -9.710 -3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.369 -9.106 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.977 -10.321 -1.385 1.00 0.00 H new ATOM 0 HG CYS A 33 4.269 -11.230 -4.685 1.00 0.00 H new ATOM 483 N ALA A 34 1.298 -11.588 -1.319 1.00 0.00 N ATOM 484 CA ALA A 34 0.523 -12.775 -0.955 1.00 0.00 C ATOM 485 C ALA A 34 -0.955 -12.685 -1.389 1.00 0.00 C ATOM 486 O ALA A 34 -1.514 -13.678 -1.860 1.00 0.00 O ATOM 487 CB ALA A 34 0.645 -12.989 0.563 1.00 0.00 C ATOM 0 H ALA A 34 1.587 -11.035 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 34 0.932 -13.631 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.073 -13.870 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.693 -13.133 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.256 -12.115 1.086 1.00 0.00 H new ATOM 493 N MET A 35 -1.591 -11.518 -1.237 1.00 0.00 N ATOM 494 CA MET A 35 -3.001 -11.274 -1.569 1.00 0.00 C ATOM 495 C MET A 35 -3.266 -11.249 -3.085 1.00 0.00 C ATOM 496 O MET A 35 -4.267 -11.798 -3.550 1.00 0.00 O ATOM 497 CB MET A 35 -3.438 -9.962 -0.895 1.00 0.00 C ATOM 498 CG MET A 35 -4.913 -9.606 -1.120 1.00 0.00 C ATOM 499 SD MET A 35 -5.516 -8.178 -0.172 1.00 0.00 S ATOM 500 CE MET A 35 -4.508 -6.836 -0.866 1.00 0.00 C ATOM 0 H MET A 35 -1.124 -10.690 -0.868 1.00 0.00 H new ATOM 0 HA MET A 35 -3.596 -12.105 -1.190 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.252 -10.037 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.817 -9.148 -1.270 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.065 -9.408 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.522 -10.474 -0.867 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.841 -5.882 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.461 -6.996 -0.607 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.616 -6.824 -1.951 1.00 0.00 H new ATOM 510 N LYS A 36 -2.375 -10.629 -3.871 1.00 0.00 N ATOM 511 CA LYS A 36 -2.436 -10.619 -5.351 1.00 0.00 C ATOM 512 C LYS A 36 -1.842 -11.876 -6.005 1.00 0.00 C ATOM 513 O LYS A 36 -2.083 -12.104 -7.191 1.00 0.00 O ATOM 514 CB LYS A 36 -1.762 -9.338 -5.895 1.00 0.00 C ATOM 515 CG LYS A 36 -2.474 -8.019 -5.527 1.00 0.00 C ATOM 516 CD LYS A 36 -3.953 -7.971 -5.961 1.00 0.00 C ATOM 517 CE LYS A 36 -4.895 -8.426 -4.831 1.00 0.00 C ATOM 518 NZ LYS A 36 -6.205 -8.923 -5.335 1.00 0.00 N ATOM 0 H LYS A 36 -1.579 -10.112 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.492 -10.623 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.739 -9.297 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.702 -9.410 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.416 -7.874 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.942 -7.188 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.211 -6.956 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.097 -8.609 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.410 -9.214 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.066 -7.593 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.608 -9.595 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.856 -8.122 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.067 -9.400 -6.249 1.00 0.00 H new ATOM 532 N LYS A 37 -1.085 -12.680 -5.247 1.00 0.00 N ATOM 533 CA LYS A 37 -0.379 -13.903 -5.687 1.00 0.00 C ATOM 534 C LYS A 37 0.623 -13.642 -6.830 1.00 0.00 C ATOM 535 O LYS A 37 0.840 -14.506 -7.681 1.00 0.00 O ATOM 536 CB LYS A 37 -1.375 -15.048 -5.992 1.00 0.00 C ATOM 537 CG LYS A 37 -2.506 -15.246 -4.956 1.00 0.00 C ATOM 538 CD LYS A 37 -2.651 -16.701 -4.479 1.00 0.00 C ATOM 539 CE LYS A 37 -1.503 -17.146 -3.560 1.00 0.00 C ATOM 540 NZ LYS A 37 -1.596 -16.528 -2.209 1.00 0.00 N ATOM 0 H LYS A 37 -0.937 -12.489 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 37 0.236 -14.237 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.828 -14.861 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.815 -15.980 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.315 -14.606 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.450 -14.919 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.597 -16.812 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.692 -17.360 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.517 -18.232 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.550 -16.878 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.822 -16.882 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.523 -15.494 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.508 -16.776 -1.776 1.00 0.00 H new ATOM 554 N LEU A 38 1.197 -12.435 -6.875 1.00 0.00 N ATOM 555 CA LEU A 38 1.988 -11.897 -7.994 1.00 0.00 C ATOM 556 C LEU A 38 3.210 -11.079 -7.512 1.00 0.00 C ATOM 557 O LEU A 38 3.138 -10.442 -6.456 1.00 0.00 O ATOM 558 CB LEU A 38 1.077 -11.046 -8.903 1.00 0.00 C ATOM 559 CG LEU A 38 0.119 -11.836 -9.819 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.819 -10.861 -10.530 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.862 -12.639 -10.891 1.00 0.00 C ATOM 0 H LEU A 38 1.121 -11.776 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 38 2.386 -12.738 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.484 -10.383 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.707 -10.413 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.429 -12.532 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.497 -11.416 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.396 -10.307 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.233 -10.164 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.142 -13.176 -11.508 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.442 -11.961 -11.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.532 -13.353 -10.412 1.00 0.00 H new ATOM 573 N PRO A 39 4.328 -11.083 -8.270 1.00 0.00 N ATOM 574 CA PRO A 39 5.610 -10.503 -7.853 1.00 0.00 C ATOM 575 C PRO A 39 5.630 -8.959 -7.800 1.00 0.00 C ATOM 576 O PRO A 39 4.826 -8.297 -8.466 1.00 0.00 O ATOM 577 CB PRO A 39 6.640 -11.045 -8.858 1.00 0.00 C ATOM 578 CG PRO A 39 5.818 -11.271 -10.124 1.00 0.00 C ATOM 579 CD PRO A 39 4.487 -11.752 -9.557 1.00 0.00 C ATOM 0 HA PRO A 39 5.827 -10.790 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.449 -10.334 -9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.097 -11.970 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.707 -10.357 -10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.274 -12.013 -10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.665 -11.504 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.484 -12.835 -9.436 1.00 0.00 H new ATOM 587 N PRO A 40 6.597 -8.357 -7.076 1.00 0.00 N ATOM 588 CA PRO A 40 6.726 -6.902 -6.938 1.00 0.00 C ATOM 589 C PRO A 40 7.080 -6.161 -8.240 1.00 0.00 C ATOM 590 O PRO A 40 6.896 -4.948 -8.318 1.00 0.00 O ATOM 591 CB PRO A 40 7.804 -6.696 -5.866 1.00 0.00 C ATOM 592 CG PRO A 40 8.667 -7.948 -5.984 1.00 0.00 C ATOM 593 CD PRO A 40 7.631 -9.022 -6.292 1.00 0.00 C ATOM 0 HA PRO A 40 5.762 -6.473 -6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.383 -5.791 -6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.368 -6.601 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.409 -7.858 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.210 -8.157 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.075 -9.847 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.218 -9.442 -5.375 1.00 0.00 H new ATOM 601 N ASP A 41 7.553 -6.852 -9.280 1.00 0.00 N ATOM 602 CA ASP A 41 7.778 -6.260 -10.609 1.00 0.00 C ATOM 603 C ASP A 41 6.454 -5.866 -11.290 1.00 0.00 C ATOM 604 O ASP A 41 6.326 -4.771 -11.845 1.00 0.00 O ATOM 605 CB ASP A 41 8.555 -7.254 -11.502 1.00 0.00 C ATOM 606 CG ASP A 41 9.969 -7.620 -11.003 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.588 -6.851 -10.229 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.482 -8.684 -11.424 1.00 0.00 O ATOM 0 H ASP A 41 7.793 -7.842 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 41 8.365 -5.351 -10.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.971 -8.170 -11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.639 -6.830 -12.502 1.00 0.00 H new ATOM 613 N THR A 42 5.461 -6.762 -11.244 1.00 0.00 N ATOM 614 CA THR A 42 4.161 -6.623 -11.920 1.00 0.00 C ATOM 615 C THR A 42 3.115 -5.887 -11.064 1.00 0.00 C ATOM 616 O THR A 42 2.196 -5.281 -11.616 1.00 0.00 O ATOM 617 CB THR A 42 3.681 -8.006 -12.420 1.00 0.00 C ATOM 618 OG1 THR A 42 2.847 -7.887 -13.545 1.00 0.00 O ATOM 619 CG2 THR A 42 2.892 -8.828 -11.404 1.00 0.00 C ATOM 0 H THR A 42 5.541 -7.633 -10.719 1.00 0.00 H new ATOM 0 HA THR A 42 4.295 -5.981 -12.791 1.00 0.00 H new ATOM 0 HB THR A 42 4.616 -8.521 -12.640 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.562 -8.778 -13.837 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.602 -9.779 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.512 -9.014 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.998 -8.279 -11.107 1.00 0.00 H new ATOM 627 N THR A 43 3.286 -5.873 -9.732 1.00 0.00 N ATOM 628 CA THR A 43 2.365 -5.254 -8.756 1.00 0.00 C ATOM 629 C THR A 43 3.088 -4.294 -7.806 1.00 0.00 C ATOM 630 O THR A 43 3.944 -4.712 -7.023 1.00 0.00 O ATOM 631 CB THR A 43 1.608 -6.334 -7.966 1.00 0.00 C ATOM 632 OG1 THR A 43 0.785 -7.067 -8.847 1.00 0.00 O ATOM 633 CG2 THR A 43 0.681 -5.774 -6.886 1.00 0.00 C ATOM 0 H THR A 43 4.095 -6.306 -9.287 1.00 0.00 H new ATOM 0 HA THR A 43 1.645 -4.663 -9.322 1.00 0.00 H new ATOM 0 HB THR A 43 2.378 -6.940 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.302 -7.757 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.182 -6.596 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.265 -5.198 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.066 -5.128 -7.347 1.00 0.00 H new ATOM 641 N ARG A 44 2.706 -3.009 -7.816 1.00 0.00 N ATOM 642 CA ARG A 44 3.356 -1.895 -7.090 1.00 0.00 C ATOM 643 C ARG A 44 2.361 -1.002 -6.337 1.00 0.00 C ATOM 644 O ARG A 44 1.166 -1.006 -6.620 1.00 0.00 O ATOM 645 CB ARG A 44 4.237 -1.077 -8.060 1.00 0.00 C ATOM 646 CG ARG A 44 5.536 -1.814 -8.451 1.00 0.00 C ATOM 647 CD ARG A 44 5.591 -2.227 -9.926 1.00 0.00 C ATOM 648 NE ARG A 44 5.721 -1.054 -10.818 1.00 0.00 N ATOM 649 CZ ARG A 44 6.002 -1.073 -12.111 1.00 0.00 C ATOM 650 NH1 ARG A 44 6.200 -2.178 -12.778 1.00 0.00 N ATOM 651 NH2 ARG A 44 6.093 0.050 -12.769 1.00 0.00 N ATOM 0 H ARG A 44 1.898 -2.697 -8.354 1.00 0.00 H new ATOM 0 HA ARG A 44 3.990 -2.335 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.666 -0.853 -8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.491 -0.123 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.388 -1.171 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.639 -2.704 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.434 -2.900 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.688 -2.781 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 44 5.580 -0.137 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.141 -3.078 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.414 -2.141 -13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.948 0.937 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.309 0.041 -13.766 1.00 0.00 H new ATOM 665 N LEU A 45 2.879 -0.247 -5.368 1.00 0.00 N ATOM 666 CA LEU A 45 2.139 0.576 -4.405 1.00 0.00 C ATOM 667 C LEU A 45 2.785 1.967 -4.262 1.00 0.00 C ATOM 668 O LEU A 45 4.014 2.078 -4.189 1.00 0.00 O ATOM 669 CB LEU A 45 2.072 -0.193 -3.067 1.00 0.00 C ATOM 670 CG LEU A 45 1.516 0.579 -1.853 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.087 1.089 -2.062 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.533 -0.358 -0.646 1.00 0.00 C ATOM 0 H LEU A 45 3.887 -0.189 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 45 1.122 0.756 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.459 -1.082 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.077 -0.537 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 45 2.146 1.456 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.243 1.623 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.063 1.763 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.577 0.245 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.144 0.166 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.912 -1.229 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.556 -0.680 -0.450 1.00 0.00 H new ATOM 684 N THR A 46 1.954 3.012 -4.187 1.00 0.00 N ATOM 685 CA THR A 46 2.364 4.429 -4.129 1.00 0.00 C ATOM 686 C THR A 46 1.506 5.220 -3.130 1.00 0.00 C ATOM 687 O THR A 46 0.309 4.953 -2.987 1.00 0.00 O ATOM 688 CB THR A 46 2.290 5.065 -5.537 1.00 0.00 C ATOM 689 OG1 THR A 46 3.062 4.333 -6.471 1.00 0.00 O ATOM 690 CG2 THR A 46 2.800 6.504 -5.613 1.00 0.00 C ATOM 0 H THR A 46 0.941 2.896 -4.164 1.00 0.00 H new ATOM 0 HA THR A 46 3.396 4.468 -3.780 1.00 0.00 H new ATOM 0 HB THR A 46 1.225 5.050 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.996 4.756 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.710 6.868 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.208 7.135 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.846 6.536 -5.307 1.00 0.00 H new ATOM 698 N TYR A 47 2.107 6.210 -2.458 1.00 0.00 N ATOM 699 CA TYR A 47 1.435 7.169 -1.568 1.00 0.00 C ATOM 700 C TYR A 47 2.068 8.564 -1.714 1.00 0.00 C ATOM 701 O TYR A 47 3.292 8.690 -1.786 1.00 0.00 O ATOM 702 CB TYR A 47 1.453 6.656 -0.115 1.00 0.00 C ATOM 703 CG TYR A 47 1.355 7.736 0.946 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.179 8.501 1.072 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.458 8.001 1.782 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.120 9.559 1.998 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.405 9.053 2.708 1.00 0.00 C ATOM 708 CZ TYR A 47 1.246 9.847 2.802 1.00 0.00 C ATOM 709 OH TYR A 47 1.252 10.899 3.655 1.00 0.00 O ATOM 0 H TYR A 47 3.112 6.372 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 47 0.388 7.262 -1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.625 5.959 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.373 6.093 0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.679 8.275 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.347 7.392 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.781 10.147 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.252 9.254 3.348 1.00 0.00 H new ATOM 0 HH TYR A 47 2.112 10.936 4.123 1.00 0.00 H new ATOM 719 N LYS A 48 1.237 9.613 -1.821 1.00 0.00 N ATOM 720 CA LYS A 48 1.658 11.015 -2.040 1.00 0.00 C ATOM 721 C LYS A 48 2.598 11.192 -3.258 1.00 0.00 C ATOM 722 O LYS A 48 3.503 12.028 -3.251 1.00 0.00 O ATOM 723 CB LYS A 48 2.200 11.599 -0.711 1.00 0.00 C ATOM 724 CG LYS A 48 2.054 13.127 -0.596 1.00 0.00 C ATOM 725 CD LYS A 48 0.619 13.566 -0.252 1.00 0.00 C ATOM 726 CE LYS A 48 0.417 15.083 -0.367 1.00 0.00 C ATOM 727 NZ LYS A 48 1.233 15.852 0.608 1.00 0.00 N ATOM 0 H LYS A 48 0.224 9.511 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 48 0.787 11.606 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.675 11.130 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.253 11.336 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.735 13.496 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.354 13.588 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.080 13.060 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.380 13.248 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.672 15.402 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.637 15.316 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.055 16.869 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.974 15.571 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.242 15.655 0.449 1.00 0.00 H new ATOM 741 N GLY A 49 2.412 10.371 -4.299 1.00 0.00 N ATOM 742 CA GLY A 49 3.261 10.344 -5.502 1.00 0.00 C ATOM 743 C GLY A 49 4.671 9.756 -5.301 1.00 0.00 C ATOM 744 O GLY A 49 5.538 9.947 -6.158 1.00 0.00 O ATOM 0 H GLY A 49 1.652 9.692 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.751 9.767 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.360 11.362 -5.879 1.00 0.00 H new ATOM 748 N ARG A 50 4.920 9.059 -4.181 1.00 0.00 N ATOM 749 CA ARG A 50 6.224 8.524 -3.748 1.00 0.00 C ATOM 750 C ARG A 50 6.141 7.018 -3.448 1.00 0.00 C ATOM 751 O ARG A 50 5.152 6.538 -2.889 1.00 0.00 O ATOM 752 CB ARG A 50 6.704 9.336 -2.516 1.00 0.00 C ATOM 753 CG ARG A 50 8.141 9.878 -2.604 1.00 0.00 C ATOM 754 CD ARG A 50 9.226 8.800 -2.483 1.00 0.00 C ATOM 755 NE ARG A 50 10.566 9.402 -2.317 1.00 0.00 N ATOM 756 CZ ARG A 50 11.412 9.778 -3.262 1.00 0.00 C ATOM 757 NH1 ARG A 50 11.150 9.654 -4.532 1.00 0.00 N ATOM 758 NH2 ARG A 50 12.559 10.305 -2.943 1.00 0.00 N ATOM 0 H ARG A 50 4.178 8.841 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 50 6.952 8.632 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.025 10.176 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.626 8.703 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.264 10.397 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.288 10.616 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.007 8.155 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.216 8.170 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 50 10.876 9.545 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.262 9.253 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.833 9.958 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.808 10.429 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.209 10.594 -3.674 1.00 0.00 H new ATOM 772 N ALA A 51 7.186 6.270 -3.802 1.00 0.00 N ATOM 773 CA ALA A 51 7.390 4.890 -3.357 1.00 0.00 C ATOM 774 C ALA A 51 8.030 4.868 -1.953 1.00 0.00 C ATOM 775 O ALA A 51 9.087 5.468 -1.739 1.00 0.00 O ATOM 776 CB ALA A 51 8.256 4.158 -4.395 1.00 0.00 C ATOM 0 H ALA A 51 7.926 6.610 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 51 6.433 4.374 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.415 3.128 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.750 4.164 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.218 4.662 -4.487 1.00 0.00 H new ATOM 782 N LEU A 52 7.407 4.164 -1.003 1.00 0.00 N ATOM 783 CA LEU A 52 7.976 3.909 0.328 1.00 0.00 C ATOM 784 C LEU A 52 8.953 2.720 0.274 1.00 0.00 C ATOM 785 O LEU A 52 8.683 1.714 -0.389 1.00 0.00 O ATOM 786 CB LEU A 52 6.840 3.680 1.346 1.00 0.00 C ATOM 787 CG LEU A 52 6.386 4.957 2.079 1.00 0.00 C ATOM 788 CD1 LEU A 52 5.886 6.059 1.144 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.261 4.614 3.055 1.00 0.00 C ATOM 0 H LEU A 52 6.484 3.750 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 52 8.546 4.779 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.984 3.247 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.169 2.948 2.084 1.00 0.00 H new ATOM 0 HG LEU A 52 7.268 5.339 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.584 6.926 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.684 6.345 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.033 5.693 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.941 5.518 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.419 4.193 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.620 3.887 3.783 1.00 0.00 H new ATOM 801 N LYS A 53 10.089 2.844 0.974 1.00 0.00 N ATOM 802 CA LYS A 53 11.156 1.830 1.071 1.00 0.00 C ATOM 803 C LYS A 53 12.068 2.129 2.272 1.00 0.00 C ATOM 804 O LYS A 53 12.444 3.282 2.484 1.00 0.00 O ATOM 805 CB LYS A 53 11.975 1.823 -0.240 1.00 0.00 C ATOM 806 CG LYS A 53 12.751 0.514 -0.493 1.00 0.00 C ATOM 807 CD LYS A 53 12.127 -0.359 -1.599 1.00 0.00 C ATOM 808 CE LYS A 53 10.739 -0.926 -1.259 1.00 0.00 C ATOM 809 NZ LYS A 53 10.820 -2.112 -0.363 1.00 0.00 N ATOM 0 H LYS A 53 10.301 3.685 1.510 1.00 0.00 H new ATOM 0 HA LYS A 53 10.708 0.847 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.300 2.000 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.681 2.653 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.778 0.755 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.794 -0.060 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.050 0.233 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.801 -1.188 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.139 -0.152 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.226 -1.203 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.861 -2.460 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.370 -2.862 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.286 -1.843 0.527 1.00 0.00 H new ATOM 823 N ASP A 54 12.433 1.097 3.038 1.00 0.00 N ATOM 824 CA ASP A 54 13.327 1.172 4.214 1.00 0.00 C ATOM 825 C ASP A 54 12.870 2.178 5.307 1.00 0.00 C ATOM 826 O ASP A 54 13.679 2.749 6.042 1.00 0.00 O ATOM 827 CB ASP A 54 14.783 1.377 3.745 1.00 0.00 C ATOM 828 CG ASP A 54 15.854 1.035 4.801 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.608 0.184 5.692 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.982 1.575 4.698 1.00 0.00 O ATOM 0 H ASP A 54 12.106 0.148 2.856 1.00 0.00 H new ATOM 0 HA ASP A 54 13.268 0.215 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.955 0.764 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.910 2.416 3.442 1.00 0.00 H new ATOM 835 N THR A 55 11.559 2.433 5.385 1.00 0.00 N ATOM 836 CA THR A 55 10.956 3.502 6.202 1.00 0.00 C ATOM 837 C THR A 55 10.858 3.159 7.697 1.00 0.00 C ATOM 838 O THR A 55 10.902 4.055 8.538 1.00 0.00 O ATOM 839 CB THR A 55 9.566 3.843 5.627 1.00 0.00 C ATOM 840 OG1 THR A 55 9.652 4.151 4.247 1.00 0.00 O ATOM 841 CG2 THR A 55 8.869 5.009 6.319 1.00 0.00 C ATOM 0 H THR A 55 10.867 1.890 4.870 1.00 0.00 H new ATOM 0 HA THR A 55 11.617 4.367 6.148 1.00 0.00 H new ATOM 0 HB THR A 55 8.971 2.946 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.759 4.362 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.899 5.181 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.728 4.774 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.481 5.906 6.225 1.00 0.00 H new ATOM 849 N GLU A 56 10.724 1.870 8.033 1.00 0.00 N ATOM 850 CA GLU A 56 10.586 1.273 9.385 1.00 0.00 C ATOM 851 C GLU A 56 9.344 1.674 10.223 1.00 0.00 C ATOM 852 O GLU A 56 8.796 0.829 10.936 1.00 0.00 O ATOM 853 CB GLU A 56 11.886 1.442 10.200 1.00 0.00 C ATOM 854 CG GLU A 56 13.122 0.839 9.515 1.00 0.00 C ATOM 855 CD GLU A 56 14.332 0.764 10.466 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.620 1.749 11.191 1.00 0.00 O ATOM 857 OE2 GLU A 56 15.003 -0.298 10.496 1.00 0.00 O ATOM 0 H GLU A 56 10.707 1.149 7.311 1.00 0.00 H new ATOM 0 HA GLU A 56 10.402 0.220 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.060 2.504 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.757 0.974 11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.884 -0.161 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.383 1.440 8.644 1.00 0.00 H new ATOM 864 N THR A 57 8.875 2.922 10.157 1.00 0.00 N ATOM 865 CA THR A 57 7.690 3.427 10.878 1.00 0.00 C ATOM 866 C THR A 57 7.090 4.644 10.169 1.00 0.00 C ATOM 867 O THR A 57 7.814 5.476 9.615 1.00 0.00 O ATOM 868 CB THR A 57 8.027 3.768 12.349 1.00 0.00 C ATOM 869 OG1 THR A 57 6.932 4.402 12.978 1.00 0.00 O ATOM 870 CG2 THR A 57 9.222 4.715 12.523 1.00 0.00 C ATOM 0 H THR A 57 9.320 3.638 9.583 1.00 0.00 H new ATOM 0 HA THR A 57 6.946 2.630 10.879 1.00 0.00 H new ATOM 0 HB THR A 57 8.271 2.804 12.796 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.099 3.963 12.705 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.388 4.900 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.113 4.260 12.091 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.015 5.658 12.018 1.00 0.00 H new ATOM 878 N LEU A 58 5.764 4.792 10.223 1.00 0.00 N ATOM 879 CA LEU A 58 5.048 5.953 9.683 1.00 0.00 C ATOM 880 C LEU A 58 5.404 7.268 10.409 1.00 0.00 C ATOM 881 O LEU A 58 5.220 8.352 9.856 1.00 0.00 O ATOM 882 CB LEU A 58 3.538 5.660 9.736 1.00 0.00 C ATOM 883 CG LEU A 58 3.069 4.431 8.927 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.553 4.265 9.067 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.386 4.563 7.434 1.00 0.00 C ATOM 0 H LEU A 58 5.148 4.100 10.649 1.00 0.00 H new ATOM 0 HA LEU A 58 5.359 6.107 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.250 5.519 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.003 6.537 9.373 1.00 0.00 H new ATOM 0 HG LEU A 58 3.603 3.569 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.228 3.397 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.298 4.123 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.053 5.157 8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.037 3.674 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.884 5.443 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.463 4.665 7.298 1.00 0.00 H new ATOM 897 N GLU A 59 5.979 7.191 11.614 1.00 0.00 N ATOM 898 CA GLU A 59 6.539 8.344 12.333 1.00 0.00 C ATOM 899 C GLU A 59 7.803 8.929 11.670 1.00 0.00 C ATOM 900 O GLU A 59 8.130 10.095 11.904 1.00 0.00 O ATOM 901 CB GLU A 59 6.855 7.954 13.789 1.00 0.00 C ATOM 902 CG GLU A 59 5.604 7.533 14.578 1.00 0.00 C ATOM 903 CD GLU A 59 5.869 7.290 16.082 1.00 0.00 C ATOM 904 OE1 GLU A 59 6.996 7.537 16.586 1.00 0.00 O ATOM 905 OE2 GLU A 59 4.920 6.867 16.791 1.00 0.00 O ATOM 0 H GLU A 59 6.071 6.314 12.126 1.00 0.00 H new ATOM 0 HA GLU A 59 5.777 9.123 12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.574 7.135 13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.329 8.797 14.291 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.842 8.305 14.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.198 6.622 14.138 1.00 0.00 H new ATOM 912 N SER A 60 8.498 8.167 10.814 1.00 0.00 N ATOM 913 CA SER A 60 9.697 8.627 10.087 1.00 0.00 C ATOM 914 C SER A 60 9.355 9.679 9.018 1.00 0.00 C ATOM 915 O SER A 60 10.034 10.704 8.901 1.00 0.00 O ATOM 916 CB SER A 60 10.415 7.426 9.458 1.00 0.00 C ATOM 917 OG SER A 60 11.625 7.825 8.839 1.00 0.00 O ATOM 0 H SER A 60 8.243 7.202 10.602 1.00 0.00 H new ATOM 0 HA SER A 60 10.361 9.108 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.623 6.680 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.764 6.953 8.722 1.00 0.00 H new ATOM 0 HG SER A 60 12.065 7.042 8.447 1.00 0.00 H new ATOM 923 N LEU A 61 8.248 9.472 8.290 1.00 0.00 N ATOM 924 CA LEU A 61 7.651 10.454 7.368 1.00 0.00 C ATOM 925 C LEU A 61 6.755 11.485 8.089 1.00 0.00 C ATOM 926 O LEU A 61 6.419 12.515 7.500 1.00 0.00 O ATOM 927 CB LEU A 61 6.875 9.698 6.265 1.00 0.00 C ATOM 928 CG LEU A 61 7.703 9.387 5.000 1.00 0.00 C ATOM 929 CD1 LEU A 61 9.024 8.674 5.286 1.00 0.00 C ATOM 930 CD2 LEU A 61 6.884 8.500 4.060 1.00 0.00 C ATOM 0 H LEU A 61 7.728 8.595 8.326 1.00 0.00 H new ATOM 0 HA LEU A 61 8.456 11.034 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.501 8.761 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.006 10.290 5.979 1.00 0.00 H new ATOM 0 HG LEU A 61 7.940 10.352 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.548 8.490 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.642 9.298 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.825 7.725 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.468 8.280 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.631 7.569 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.968 9.019 3.776 1.00 0.00 H new ATOM 942 N GLY A 62 6.372 11.233 9.346 1.00 0.00 N ATOM 943 CA GLY A 62 5.558 12.142 10.166 1.00 0.00 C ATOM 944 C GLY A 62 4.123 12.311 9.646 1.00 0.00 C ATOM 945 O GLY A 62 3.589 13.422 9.654 1.00 0.00 O ATOM 0 H GLY A 62 6.624 10.373 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.524 11.765 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.041 13.118 10.202 1.00 0.00 H new ATOM 949 N VAL A 63 3.528 11.228 9.130 1.00 0.00 N ATOM 950 CA VAL A 63 2.256 11.255 8.378 1.00 0.00 C ATOM 951 C VAL A 63 1.046 11.704 9.219 1.00 0.00 C ATOM 952 O VAL A 63 1.005 11.519 10.440 1.00 0.00 O ATOM 953 CB VAL A 63 1.970 9.901 7.696 1.00 0.00 C ATOM 954 CG1 VAL A 63 3.158 9.415 6.854 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.579 8.799 8.687 1.00 0.00 C ATOM 0 H VAL A 63 3.919 10.291 9.222 1.00 0.00 H new ATOM 0 HA VAL A 63 2.394 12.014 7.608 1.00 0.00 H new ATOM 0 HB VAL A 63 1.118 10.092 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.910 8.459 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.376 10.147 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.032 9.294 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.391 7.872 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.390 8.645 9.399 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.677 9.095 9.223 1.00 0.00 H new ATOM 965 N ALA A 64 0.043 12.278 8.546 1.00 0.00 N ATOM 966 CA ALA A 64 -1.247 12.667 9.122 1.00 0.00 C ATOM 967 C ALA A 64 -2.269 11.499 9.163 1.00 0.00 C ATOM 968 O ALA A 64 -1.980 10.366 8.773 1.00 0.00 O ATOM 969 CB ALA A 64 -1.767 13.859 8.305 1.00 0.00 C ATOM 0 H ALA A 64 0.110 12.492 7.551 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.112 12.948 10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.729 14.181 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.055 14.682 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.886 13.562 7.263 1.00 0.00 H new ATOM 975 N ASP A 65 -3.485 11.770 9.642 1.00 0.00 N ATOM 976 CA ASP A 65 -4.659 10.902 9.478 1.00 0.00 C ATOM 977 C ASP A 65 -5.317 11.065 8.090 1.00 0.00 C ATOM 978 O ASP A 65 -5.257 12.136 7.479 1.00 0.00 O ATOM 979 CB ASP A 65 -5.687 11.179 10.592 1.00 0.00 C ATOM 980 CG ASP A 65 -6.205 12.632 10.659 1.00 0.00 C ATOM 981 OD1 ASP A 65 -5.392 13.588 10.679 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.443 12.819 10.741 1.00 0.00 O ATOM 0 H ASP A 65 -3.688 12.620 10.168 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.313 9.871 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.538 10.512 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.237 10.926 11.552 1.00 0.00 H new ATOM 987 N GLY A 66 -5.995 10.018 7.601 1.00 0.00 N ATOM 988 CA GLY A 66 -6.784 10.068 6.361 1.00 0.00 C ATOM 989 C GLY A 66 -5.969 10.001 5.059 1.00 0.00 C ATOM 990 O GLY A 66 -6.418 10.511 4.030 1.00 0.00 O ATOM 0 H GLY A 66 -6.012 9.106 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.494 9.241 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.367 10.989 6.358 1.00 0.00 H new ATOM 994 N ASP A 67 -4.776 9.394 5.088 1.00 0.00 N ATOM 995 CA ASP A 67 -3.931 9.181 3.900 1.00 0.00 C ATOM 996 C ASP A 67 -4.610 8.298 2.836 1.00 0.00 C ATOM 997 O ASP A 67 -5.479 7.479 3.154 1.00 0.00 O ATOM 998 CB ASP A 67 -2.588 8.548 4.291 1.00 0.00 C ATOM 999 CG ASP A 67 -1.731 9.366 5.267 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.887 10.610 5.351 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.873 8.742 5.930 1.00 0.00 O ATOM 0 H ASP A 67 -4.363 9.031 5.947 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.767 10.167 3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.782 7.572 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.010 8.376 3.383 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.177 8.435 1.574 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.716 7.713 0.409 1.00 0.00 C ATOM 1008 C LYS A 68 -3.608 6.963 -0.337 1.00 0.00 C ATOM 1009 O LYS A 68 -2.764 7.577 -0.993 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.469 8.692 -0.515 1.00 0.00 C ATOM 1011 CG LYS A 68 -6.621 9.420 0.199 1.00 0.00 C ATOM 1012 CD LYS A 68 -7.414 10.309 -0.766 1.00 0.00 C ATOM 1013 CE LYS A 68 -8.495 11.075 0.009 1.00 0.00 C ATOM 1014 NZ LYS A 68 -9.286 11.960 -0.886 1.00 0.00 N ATOM 0 H LYS A 68 -3.419 9.071 1.327 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.426 6.963 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.767 9.428 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.866 8.145 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.289 8.688 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.220 10.029 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.744 11.010 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.873 9.699 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.161 10.367 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.028 11.672 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.007 12.462 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.654 12.651 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.751 11.387 -1.618 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.614 5.637 -0.232 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.700 4.727 -0.933 1.00 0.00 C ATOM 1030 C PHE A 69 -3.318 4.233 -2.251 1.00 0.00 C ATOM 1031 O PHE A 69 -4.526 3.985 -2.324 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.348 3.552 -0.005 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.392 3.903 1.124 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -1.842 4.631 2.244 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -0.042 3.506 1.053 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.947 4.974 3.273 1.00 0.00 C ATOM 1037 CE2 PHE A 69 0.853 3.841 2.086 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.401 4.581 3.194 1.00 0.00 C ATOM 0 H PHE A 69 -4.278 5.144 0.365 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.786 5.262 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.268 3.157 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.907 2.754 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.879 4.927 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.308 2.942 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.295 5.540 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.886 3.530 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.089 4.847 3.983 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.494 4.044 -3.286 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.921 3.529 -4.601 1.00 0.00 C ATOM 1050 C VAL A 70 -2.110 2.290 -4.988 1.00 0.00 C ATOM 1051 O VAL A 70 -0.882 2.282 -4.860 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.899 4.621 -5.698 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.716 5.856 -5.291 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -1.500 5.117 -6.085 1.00 0.00 C ATOM 0 H VAL A 70 -1.495 4.246 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.963 3.223 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.336 4.117 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.675 6.598 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.752 5.566 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.301 6.282 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.586 5.880 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.010 5.542 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.909 4.282 -6.462 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.790 1.239 -5.457 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.175 -0.029 -5.878 1.00 0.00 C ATOM 1066 C LEU A 71 -2.364 -0.252 -7.384 1.00 0.00 C ATOM 1067 O LEU A 71 -3.481 -0.141 -7.897 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.761 -1.201 -5.064 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.750 -2.324 -4.762 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.604 -2.497 -3.253 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.211 -3.664 -5.340 1.00 0.00 C ATOM 0 H LEU A 71 -3.805 1.244 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.104 0.021 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.152 -0.816 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.604 -1.623 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.803 -2.038 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.888 -3.292 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.249 -1.565 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.570 -2.757 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.474 -4.433 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.171 -3.938 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.316 -3.577 -6.421 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.285 -0.607 -8.077 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.225 -0.822 -9.526 1.00 0.00 C ATOM 1085 C ILE A 72 -0.775 -2.262 -9.797 1.00 0.00 C ATOM 1086 O ILE A 72 0.161 -2.748 -9.162 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.290 0.217 -10.196 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.728 1.678 -9.915 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.238 -0.001 -11.720 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.008 2.324 -8.730 1.00 0.00 C ATOM 0 H ILE A 72 -0.384 -0.761 -7.625 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.213 -0.681 -9.964 1.00 0.00 H new ATOM 0 HB ILE A 72 0.698 0.066 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.557 2.278 -10.809 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.800 1.696 -9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.424 0.739 -12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.138 -1.002 -11.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.239 0.106 -12.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.349 3.345 -8.592 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.183 1.747 -7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.079 2.339 -8.931 1.00 0.00 H new ATOM 1102 N THR A 73 -1.416 -2.945 -10.747 1.00 0.00 N ATOM 1103 CA THR A 73 -1.069 -4.319 -11.145 1.00 0.00 C ATOM 1104 C THR A 73 -1.228 -4.521 -12.658 1.00 0.00 C ATOM 1105 O THR A 73 -2.247 -4.149 -13.249 1.00 0.00 O ATOM 1106 CB THR A 73 -1.842 -5.354 -10.302 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.412 -6.657 -10.611 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.365 -5.323 -10.486 1.00 0.00 C ATOM 0 H THR A 73 -2.201 -2.559 -11.271 1.00 0.00 H new ATOM 0 HA THR A 73 -0.013 -4.483 -10.933 1.00 0.00 H new ATOM 0 HB THR A 73 -1.626 -5.080 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.656 -6.897 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.823 -6.084 -9.855 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.746 -4.341 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.610 -5.522 -11.529 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.185 -5.057 -13.303 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.126 -5.365 -14.745 1.00 0.00 C ATOM 1118 C ARG A 74 -0.696 -6.756 -15.069 1.00 0.00 C ATOM 1119 O ARG A 74 -0.776 -7.638 -14.213 1.00 0.00 O ATOM 1120 CB ARG A 74 1.336 -5.240 -15.223 1.00 0.00 C ATOM 1121 CG ARG A 74 1.797 -3.802 -15.503 1.00 0.00 C ATOM 1122 CD ARG A 74 1.264 -3.276 -16.842 1.00 0.00 C ATOM 1123 NE ARG A 74 1.873 -1.978 -17.197 1.00 0.00 N ATOM 1124 CZ ARG A 74 1.293 -0.792 -17.252 1.00 0.00 C ATOM 1125 NH1 ARG A 74 0.036 -0.611 -16.958 1.00 0.00 N ATOM 1126 NH2 ARG A 74 1.984 0.253 -17.608 1.00 0.00 N ATOM 0 H ARG A 74 0.679 -5.300 -12.818 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.752 -4.648 -15.277 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.990 -5.677 -14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.459 -5.830 -16.131 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.459 -3.150 -14.697 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.886 -3.765 -15.507 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.471 -4.003 -17.628 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.181 -3.167 -16.786 1.00 0.00 H new ATOM 0 HE ARG A 74 2.866 -2.000 -17.429 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.540 -1.403 -16.672 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.372 0.322 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.972 0.155 -17.844 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.538 1.169 -17.651 1.00 0.00 H new ATOM 1140 N THR A 75 -1.073 -6.952 -16.333 1.00 0.00 N ATOM 1141 CA THR A 75 -1.438 -8.265 -16.900 1.00 0.00 C ATOM 1142 C THR A 75 -0.212 -9.178 -17.052 1.00 0.00 C ATOM 1143 O THR A 75 0.921 -8.706 -17.192 1.00 0.00 O ATOM 1144 CB THR A 75 -2.144 -8.096 -18.260 1.00 0.00 C ATOM 1145 OG1 THR A 75 -1.381 -7.301 -19.149 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.513 -7.430 -18.106 1.00 0.00 C ATOM 0 H THR A 75 -1.137 -6.192 -17.010 1.00 0.00 H new ATOM 0 HA THR A 75 -2.126 -8.739 -16.200 1.00 0.00 H new ATOM 0 HB THR A 75 -2.260 -9.102 -18.663 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.856 -7.216 -20.002 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.980 -7.328 -19.086 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.146 -8.043 -17.464 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.390 -6.444 -17.658 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.441 -10.496 -17.052 1.00 0.00 N ATOM 1155 CA VAL A 76 0.594 -11.546 -17.178 1.00 0.00 C ATOM 1156 C VAL A 76 0.224 -12.590 -18.246 1.00 0.00 C ATOM 1157 O VAL A 76 -0.953 -12.763 -18.583 1.00 0.00 O ATOM 1158 CB VAL A 76 0.890 -12.224 -15.820 1.00 0.00 C ATOM 1159 CG1 VAL A 76 1.462 -11.232 -14.800 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -0.327 -12.922 -15.198 1.00 0.00 C ATOM 0 H VAL A 76 -1.381 -10.881 -16.962 1.00 0.00 H new ATOM 0 HA VAL A 76 1.507 -11.049 -17.506 1.00 0.00 H new ATOM 0 HB VAL A 76 1.631 -12.988 -16.053 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.656 -11.748 -13.860 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.393 -10.813 -15.183 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.744 -10.429 -14.632 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.041 -13.374 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.118 -12.192 -15.029 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.687 -13.697 -15.875 1.00 0.00 H new ATOM 1170 N GLY A 77 1.234 -13.286 -18.783 1.00 0.00 N ATOM 1171 CA GLY A 77 1.104 -14.301 -19.842 1.00 0.00 C ATOM 1172 C GLY A 77 2.393 -15.088 -20.076 1.00 0.00 C ATOM 1173 O GLY A 77 2.351 -16.333 -19.963 1.00 0.00 O ATOM 1174 OXT GLY A 77 3.432 -14.454 -20.371 1.00 0.00 O ATOM 0 H GLY A 77 2.200 -13.155 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.305 -14.994 -19.578 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.809 -13.813 -20.771 1.00 0.00 H new TER 1178 GLY A 77