USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 29 HIS : no HD1:sc= 1.08 K(o=2.4,f=-4.7!) USER MOD Set 1.2: A 38 SER OG : rot -76:sc= 1.32 USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.088 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.162 X(o=0.16,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 49 MET CE :methyl -173:sc= -0.0141 (180deg=-0.123) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 42:sc= 0.717 USER MOD Single : A 68 SER OG : rot -53:sc= 0.00401 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.382 2.845 21.769 1.00 0.00 N ATOM 2 CA ALA A 1 -25.608 2.874 20.503 1.00 0.00 C ATOM 3 C ALA A 1 -24.111 2.643 20.773 1.00 0.00 C ATOM 4 O ALA A 1 -23.701 2.463 21.924 1.00 0.00 O ATOM 5 CB ALA A 1 -25.860 4.187 19.734 1.00 0.00 C ATOM 0 H1 ALA A 1 -27.089 2.084 21.726 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.737 2.674 22.566 1.00 0.00 H new ATOM 0 H3 ALA A 1 -26.863 3.757 21.903 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.953 2.058 19.868 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -25.282 4.184 18.810 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.921 4.273 19.498 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.556 5.033 20.350 1.00 0.00 H new ATOM 13 N GLY A 2 -23.275 2.663 19.728 1.00 0.00 N ATOM 14 CA GLY A 2 -21.812 2.561 19.814 1.00 0.00 C ATOM 15 C GLY A 2 -21.104 3.007 18.528 1.00 0.00 C ATOM 16 O GLY A 2 -21.749 3.292 17.513 1.00 0.00 O ATOM 0 H GLY A 2 -23.608 2.754 18.768 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -21.459 3.170 20.646 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.537 1.529 20.034 1.00 0.00 H new ATOM 20 N HIS A 3 -19.771 3.074 18.576 1.00 0.00 N ATOM 21 CA HIS A 3 -18.879 3.455 17.467 1.00 0.00 C ATOM 22 C HIS A 3 -17.509 2.769 17.596 1.00 0.00 C ATOM 23 O HIS A 3 -17.069 2.460 18.707 1.00 0.00 O ATOM 24 CB HIS A 3 -18.741 4.993 17.420 1.00 0.00 C ATOM 25 CG HIS A 3 -18.324 5.633 18.727 1.00 0.00 C ATOM 26 ND1 HIS A 3 -17.040 6.007 19.086 1.00 0.00 N ATOM 27 CD2 HIS A 3 -19.164 5.958 19.758 1.00 0.00 C ATOM 28 CE1 HIS A 3 -17.101 6.540 20.325 1.00 0.00 C ATOM 29 NE2 HIS A 3 -18.382 6.516 20.754 1.00 0.00 N ATOM 0 H HIS A 3 -19.255 2.854 19.428 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.316 3.116 16.528 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.011 5.255 16.654 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.695 5.420 17.111 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -20.233 5.808 19.788 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.260 6.924 20.884 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.716 6.852 21.658 1.00 0.00 H new ATOM 38 N MET A 4 -16.828 2.543 16.470 1.00 0.00 N ATOM 39 CA MET A 4 -15.486 1.941 16.405 1.00 0.00 C ATOM 40 C MET A 4 -14.704 2.405 15.157 1.00 0.00 C ATOM 41 O MET A 4 -15.239 3.141 14.323 1.00 0.00 O ATOM 42 CB MET A 4 -15.616 0.401 16.446 1.00 0.00 C ATOM 43 CG MET A 4 -14.491 -0.251 17.266 1.00 0.00 C ATOM 44 SD MET A 4 -13.507 -1.495 16.389 1.00 0.00 S ATOM 45 CE MET A 4 -12.187 -1.710 17.616 1.00 0.00 C ATOM 0 H MET A 4 -17.202 2.779 15.551 1.00 0.00 H new ATOM 0 HA MET A 4 -14.913 2.277 17.269 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.581 0.130 16.875 1.00 0.00 H new ATOM 0 HB3 MET A 4 -15.598 0.009 15.429 1.00 0.00 H new ATOM 0 HG2 MET A 4 -13.822 0.533 17.620 1.00 0.00 H new ATOM 0 HG3 MET A 4 -14.931 -0.717 18.148 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.471 -2.448 17.254 1.00 0.00 H new ATOM 0 HE2 MET A 4 -11.679 -0.759 17.774 1.00 0.00 H new ATOM 0 HE3 MET A 4 -12.617 -2.053 18.557 1.00 0.00 H new ATOM 55 N GLN A 5 -13.453 1.953 15.007 1.00 0.00 N ATOM 56 CA GLN A 5 -12.586 2.223 13.854 1.00 0.00 C ATOM 57 C GLN A 5 -12.050 0.926 13.227 1.00 0.00 C ATOM 58 O GLN A 5 -11.174 0.256 13.781 1.00 0.00 O ATOM 59 CB GLN A 5 -11.431 3.173 14.230 1.00 0.00 C ATOM 60 CG GLN A 5 -11.841 4.656 14.288 1.00 0.00 C ATOM 61 CD GLN A 5 -11.994 5.191 15.711 1.00 0.00 C ATOM 62 OE1 GLN A 5 -12.863 4.791 16.477 1.00 0.00 O ATOM 63 NE2 GLN A 5 -11.166 6.133 16.118 1.00 0.00 N ATOM 0 H GLN A 5 -13.001 1.369 15.710 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.199 2.721 13.103 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.031 2.878 15.200 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.626 3.056 13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.095 5.252 13.763 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.784 4.785 13.756 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.437 6.477 15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.254 6.518 17.058 1.00 0.00 H new ATOM 72 N THR A 6 -12.591 0.581 12.059 1.00 0.00 N ATOM 73 CA THR A 6 -12.196 -0.548 11.198 1.00 0.00 C ATOM 74 C THR A 6 -11.446 -0.052 9.951 1.00 0.00 C ATOM 75 O THR A 6 -11.328 1.155 9.706 1.00 0.00 O ATOM 76 CB THR A 6 -13.430 -1.360 10.756 1.00 0.00 C ATOM 77 OG1 THR A 6 -14.473 -0.502 10.328 1.00 0.00 O ATOM 78 CG2 THR A 6 -13.958 -2.237 11.890 1.00 0.00 C ATOM 0 H THR A 6 -13.365 1.111 11.659 1.00 0.00 H new ATOM 0 HA THR A 6 -11.535 -1.188 11.783 1.00 0.00 H new ATOM 0 HB THR A 6 -13.110 -1.995 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 6 -15.245 -1.038 10.051 1.00 0.00 H new ATOM 0 HG21 THR A 6 -14.828 -2.795 11.543 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.181 -2.934 12.203 1.00 0.00 H new ATOM 0 HG23 THR A 6 -14.243 -1.608 12.734 1.00 0.00 H new ATOM 86 N SER A 7 -10.907 -0.983 9.160 1.00 0.00 N ATOM 87 CA SER A 7 -10.246 -0.709 7.877 1.00 0.00 C ATOM 88 C SER A 7 -11.228 -0.119 6.847 1.00 0.00 C ATOM 89 O SER A 7 -12.445 -0.313 6.936 1.00 0.00 O ATOM 90 CB SER A 7 -9.597 -1.990 7.304 1.00 0.00 C ATOM 91 OG SER A 7 -10.020 -3.188 7.951 1.00 0.00 O ATOM 0 H SER A 7 -10.917 -1.975 9.398 1.00 0.00 H new ATOM 0 HA SER A 7 -9.467 0.028 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.830 -2.060 6.242 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.513 -1.906 7.388 1.00 0.00 H new ATOM 0 HG SER A 7 -9.574 -3.957 7.539 1.00 0.00 H new ATOM 97 N PHE A 8 -10.693 0.564 5.831 1.00 0.00 N ATOM 98 CA PHE A 8 -11.442 1.114 4.694 1.00 0.00 C ATOM 99 C PHE A 8 -10.869 0.587 3.365 1.00 0.00 C ATOM 100 O PHE A 8 -9.729 0.111 3.305 1.00 0.00 O ATOM 101 CB PHE A 8 -11.427 2.654 4.775 1.00 0.00 C ATOM 102 CG PHE A 8 -12.244 3.371 3.709 1.00 0.00 C ATOM 103 CD1 PHE A 8 -13.647 3.249 3.685 1.00 0.00 C ATOM 104 CD2 PHE A 8 -11.606 4.150 2.724 1.00 0.00 C ATOM 105 CE1 PHE A 8 -14.395 3.888 2.677 1.00 0.00 C ATOM 106 CE2 PHE A 8 -12.348 4.781 1.711 1.00 0.00 C ATOM 107 CZ PHE A 8 -13.747 4.650 1.688 1.00 0.00 C ATOM 0 H PHE A 8 -9.693 0.757 5.774 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.481 0.786 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.798 2.953 5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.394 2.995 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.150 2.664 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.532 4.264 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -15.471 3.793 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.845 5.364 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.323 5.133 0.913 1.00 0.00 H new ATOM 117 N LYS A 9 -11.673 0.655 2.297 1.00 0.00 N ATOM 118 CA LYS A 9 -11.292 0.297 0.921 1.00 0.00 C ATOM 119 C LYS A 9 -10.346 1.349 0.299 1.00 0.00 C ATOM 120 O LYS A 9 -9.841 2.248 0.974 1.00 0.00 O ATOM 121 CB LYS A 9 -12.579 0.066 0.087 1.00 0.00 C ATOM 122 CG LYS A 9 -12.780 -1.401 -0.333 1.00 0.00 C ATOM 123 CD LYS A 9 -11.704 -1.917 -1.305 1.00 0.00 C ATOM 124 CE LYS A 9 -12.035 -3.345 -1.756 1.00 0.00 C ATOM 125 NZ LYS A 9 -10.960 -3.911 -2.613 1.00 0.00 N ATOM 0 H LYS A 9 -12.640 0.971 2.367 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.721 -0.631 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.442 0.392 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.541 0.690 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.783 -2.028 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.759 -1.506 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.642 -1.260 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.728 -1.898 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.176 -3.980 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.977 -3.345 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.217 -4.877 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.843 -3.318 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.067 -3.934 -2.080 1.00 0.00 H new ATOM 139 N THR A 10 -10.071 1.211 -0.997 1.00 0.00 N ATOM 140 CA THR A 10 -9.281 2.157 -1.803 1.00 0.00 C ATOM 141 C THR A 10 -9.799 3.593 -1.632 1.00 0.00 C ATOM 142 O THR A 10 -11.009 3.820 -1.545 1.00 0.00 O ATOM 143 CB THR A 10 -9.355 1.743 -3.279 1.00 0.00 C ATOM 144 OG1 THR A 10 -8.884 0.418 -3.403 1.00 0.00 O ATOM 145 CG2 THR A 10 -8.490 2.606 -4.186 1.00 0.00 C ATOM 0 H THR A 10 -10.401 0.412 -1.539 1.00 0.00 H new ATOM 0 HA THR A 10 -8.246 2.132 -1.463 1.00 0.00 H new ATOM 0 HB THR A 10 -10.396 1.854 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.928 0.142 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.587 2.262 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.815 3.644 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.448 2.531 -3.874 1.00 0.00 H new ATOM 153 N GLY A 11 -8.886 4.566 -1.579 1.00 0.00 N ATOM 154 CA GLY A 11 -9.172 5.979 -1.309 1.00 0.00 C ATOM 155 C GLY A 11 -8.842 6.436 0.119 1.00 0.00 C ATOM 156 O GLY A 11 -8.994 7.619 0.425 1.00 0.00 O ATOM 0 H GLY A 11 -7.893 4.387 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.607 6.591 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.229 6.165 -1.501 1.00 0.00 H new ATOM 160 N ASP A 12 -8.403 5.534 1.005 1.00 0.00 N ATOM 161 CA ASP A 12 -7.972 5.901 2.360 1.00 0.00 C ATOM 162 C ASP A 12 -6.674 6.729 2.341 1.00 0.00 C ATOM 163 O ASP A 12 -5.765 6.450 1.551 1.00 0.00 O ATOM 164 CB ASP A 12 -7.774 4.641 3.228 1.00 0.00 C ATOM 165 CG ASP A 12 -8.003 4.906 4.730 1.00 0.00 C ATOM 166 OD1 ASP A 12 -8.864 5.746 5.084 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.332 4.254 5.563 1.00 0.00 O ATOM 0 H ASP A 12 -8.337 4.536 0.805 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.761 6.516 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.460 3.863 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.763 4.260 3.081 1.00 0.00 H new ATOM 172 N LYS A 13 -6.560 7.716 3.240 1.00 0.00 N ATOM 173 CA LYS A 13 -5.350 8.532 3.430 1.00 0.00 C ATOM 174 C LYS A 13 -4.961 8.563 4.910 1.00 0.00 C ATOM 175 O LYS A 13 -5.790 8.866 5.768 1.00 0.00 O ATOM 176 CB LYS A 13 -5.542 9.960 2.878 1.00 0.00 C ATOM 177 CG LYS A 13 -4.167 10.572 2.547 1.00 0.00 C ATOM 178 CD LYS A 13 -4.095 12.102 2.672 1.00 0.00 C ATOM 179 CE LYS A 13 -4.630 12.815 1.424 1.00 0.00 C ATOM 180 NZ LYS A 13 -4.290 14.264 1.446 1.00 0.00 N ATOM 0 H LYS A 13 -7.320 7.976 3.868 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.538 8.073 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.166 9.935 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.060 10.578 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.421 10.132 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.896 10.292 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.668 12.420 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.061 12.402 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.210 12.354 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.712 12.693 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.664 14.721 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.711 14.707 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.257 14.378 1.476 1.00 0.00 H new ATOM 194 N ALA A 14 -3.704 8.238 5.202 1.00 0.00 N ATOM 195 CA ALA A 14 -3.138 8.192 6.549 1.00 0.00 C ATOM 196 C ALA A 14 -1.597 8.149 6.512 1.00 0.00 C ATOM 197 O ALA A 14 -0.983 7.908 5.470 1.00 0.00 O ATOM 198 CB ALA A 14 -3.726 6.968 7.268 1.00 0.00 C ATOM 0 H ALA A 14 -3.026 7.990 4.481 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.400 9.098 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.320 6.909 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.811 7.062 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.465 6.063 6.719 1.00 0.00 H new ATOM 204 N VAL A 15 -0.972 8.365 7.671 1.00 0.00 N ATOM 205 CA VAL A 15 0.482 8.402 7.867 1.00 0.00 C ATOM 206 C VAL A 15 1.008 6.973 8.034 1.00 0.00 C ATOM 207 O VAL A 15 0.864 6.362 9.095 1.00 0.00 O ATOM 208 CB VAL A 15 0.847 9.297 9.075 1.00 0.00 C ATOM 209 CG1 VAL A 15 2.354 9.539 9.221 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.172 10.669 8.943 1.00 0.00 C ATOM 0 H VAL A 15 -1.486 8.526 8.537 1.00 0.00 H new ATOM 0 HA VAL A 15 0.959 8.842 6.991 1.00 0.00 H new ATOM 0 HB VAL A 15 0.497 8.757 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.538 10.174 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.864 8.585 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.732 10.030 8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.437 11.289 9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.509 11.153 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.910 10.540 8.909 1.00 0.00 H new ATOM 220 N TYR A 16 1.572 6.406 6.966 1.00 0.00 N ATOM 221 CA TYR A 16 2.216 5.087 7.000 1.00 0.00 C ATOM 222 C TYR A 16 3.656 5.168 7.578 1.00 0.00 C ATOM 223 O TYR A 16 4.278 6.237 7.521 1.00 0.00 O ATOM 224 CB TYR A 16 2.174 4.467 5.589 1.00 0.00 C ATOM 225 CG TYR A 16 3.432 4.647 4.756 1.00 0.00 C ATOM 226 CD1 TYR A 16 3.612 5.791 3.951 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.433 3.658 4.809 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.797 5.941 3.202 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.617 3.808 4.065 1.00 0.00 C ATOM 230 CZ TYR A 16 5.800 4.949 3.257 1.00 0.00 C ATOM 231 OH TYR A 16 6.949 5.107 2.547 1.00 0.00 O ATOM 0 H TYR A 16 1.596 6.849 6.048 1.00 0.00 H new ATOM 0 HA TYR A 16 1.666 4.432 7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.974 3.400 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.335 4.901 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.845 6.550 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.291 2.781 5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.938 6.816 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.385 3.050 4.112 1.00 0.00 H new ATOM 0 HH TYR A 16 7.534 4.335 2.696 1.00 0.00 H new ATOM 241 N PRO A 17 4.223 4.060 8.102 1.00 0.00 N ATOM 242 CA PRO A 17 5.580 4.004 8.652 1.00 0.00 C ATOM 243 C PRO A 17 6.657 4.043 7.549 1.00 0.00 C ATOM 244 O PRO A 17 7.128 3.008 7.068 1.00 0.00 O ATOM 245 CB PRO A 17 5.621 2.721 9.496 1.00 0.00 C ATOM 246 CG PRO A 17 4.622 1.806 8.790 1.00 0.00 C ATOM 247 CD PRO A 17 3.550 2.789 8.330 1.00 0.00 C ATOM 0 HA PRO A 17 5.807 4.877 9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.620 2.285 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.333 2.910 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.076 1.278 7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.218 1.049 9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.067 2.437 7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.770 2.893 9.084 1.00 0.00 H new ATOM 255 N GLY A 18 7.062 5.252 7.152 1.00 0.00 N ATOM 256 CA GLY A 18 8.148 5.490 6.193 1.00 0.00 C ATOM 257 C GLY A 18 8.289 6.958 5.783 1.00 0.00 C ATOM 258 O GLY A 18 9.354 7.551 5.968 1.00 0.00 O ATOM 0 H GLY A 18 6.636 6.113 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.088 5.151 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.974 4.887 5.302 1.00 0.00 H new ATOM 262 N GLN A 19 7.216 7.550 5.244 1.00 0.00 N ATOM 263 CA GLN A 19 7.171 8.960 4.803 1.00 0.00 C ATOM 264 C GLN A 19 5.968 9.729 5.368 1.00 0.00 C ATOM 265 O GLN A 19 6.071 10.922 5.659 1.00 0.00 O ATOM 266 CB GLN A 19 7.112 9.059 3.266 1.00 0.00 C ATOM 267 CG GLN A 19 8.197 8.289 2.495 1.00 0.00 C ATOM 268 CD GLN A 19 9.053 9.210 1.629 1.00 0.00 C ATOM 269 OE1 GLN A 19 8.790 9.431 0.453 1.00 0.00 O ATOM 270 NE2 GLN A 19 10.103 9.792 2.171 1.00 0.00 N ATOM 0 H GLN A 19 6.335 7.057 5.097 1.00 0.00 H new ATOM 0 HA GLN A 19 8.087 9.410 5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.137 8.700 2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.175 10.111 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.836 7.760 3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.726 7.535 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.335 9.618 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.684 10.417 1.613 1.00 0.00 H new ATOM 279 N GLY A 20 4.815 9.063 5.486 1.00 0.00 N ATOM 280 CA GLY A 20 3.557 9.651 5.950 1.00 0.00 C ATOM 281 C GLY A 20 2.673 10.284 4.867 1.00 0.00 C ATOM 282 O GLY A 20 1.516 10.597 5.143 1.00 0.00 O ATOM 0 H GLY A 20 4.730 8.073 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.981 8.876 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.787 10.413 6.695 1.00 0.00 H new ATOM 286 N VAL A 21 3.186 10.459 3.643 1.00 0.00 N ATOM 287 CA VAL A 21 2.447 10.994 2.485 1.00 0.00 C ATOM 288 C VAL A 21 2.120 9.866 1.505 1.00 0.00 C ATOM 289 O VAL A 21 3.015 9.172 1.022 1.00 0.00 O ATOM 290 CB VAL A 21 3.229 12.128 1.787 1.00 0.00 C ATOM 291 CG1 VAL A 21 2.405 12.754 0.651 1.00 0.00 C ATOM 292 CG2 VAL A 21 3.583 13.248 2.775 1.00 0.00 C ATOM 0 H VAL A 21 4.154 10.227 3.421 1.00 0.00 H new ATOM 0 HA VAL A 21 1.513 11.425 2.846 1.00 0.00 H new ATOM 0 HB VAL A 21 4.138 11.677 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.982 13.549 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.166 11.990 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.482 13.167 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.133 14.032 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.668 13.665 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.200 12.844 3.578 1.00 0.00 H new ATOM 302 N GLY A 22 0.835 9.710 1.192 1.00 0.00 N ATOM 303 CA GLY A 22 0.307 8.719 0.254 1.00 0.00 C ATOM 304 C GLY A 22 -1.177 8.429 0.495 1.00 0.00 C ATOM 305 O GLY A 22 -1.631 8.368 1.638 1.00 0.00 O ATOM 0 H GLY A 22 0.104 10.293 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.445 9.077 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.876 7.794 0.347 1.00 0.00 H new ATOM 309 N GLU A 23 -1.929 8.218 -0.584 1.00 0.00 N ATOM 310 CA GLU A 23 -3.345 7.822 -0.564 1.00 0.00 C ATOM 311 C GLU A 23 -3.484 6.484 -1.308 1.00 0.00 C ATOM 312 O GLU A 23 -2.932 6.330 -2.404 1.00 0.00 O ATOM 313 CB GLU A 23 -4.207 8.905 -1.232 1.00 0.00 C ATOM 314 CG GLU A 23 -5.710 8.652 -1.036 1.00 0.00 C ATOM 315 CD GLU A 23 -6.574 9.631 -1.857 1.00 0.00 C ATOM 316 OE1 GLU A 23 -6.365 10.865 -1.766 1.00 0.00 O ATOM 317 OE2 GLU A 23 -7.477 9.172 -2.598 1.00 0.00 O ATOM 0 H GLU A 23 -1.561 8.320 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.689 7.708 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.947 9.880 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.982 8.940 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.946 7.629 -1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.959 8.748 0.021 1.00 0.00 H new ATOM 324 N VAL A 24 -4.179 5.502 -0.723 1.00 0.00 N ATOM 325 CA VAL A 24 -4.366 4.167 -1.318 1.00 0.00 C ATOM 326 C VAL A 24 -5.063 4.304 -2.676 1.00 0.00 C ATOM 327 O VAL A 24 -6.253 4.612 -2.736 1.00 0.00 O ATOM 328 CB VAL A 24 -5.165 3.229 -0.387 1.00 0.00 C ATOM 329 CG1 VAL A 24 -5.255 1.821 -0.988 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.514 3.100 0.998 1.00 0.00 C ATOM 0 H VAL A 24 -4.633 5.609 0.184 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.384 3.716 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.155 3.672 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.822 1.175 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.756 1.869 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.251 1.417 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.110 2.431 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.508 2.695 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.462 4.082 1.468 1.00 0.00 H new ATOM 340 N MET A 25 -4.319 4.097 -3.764 1.00 0.00 N ATOM 341 CA MET A 25 -4.785 4.258 -5.150 1.00 0.00 C ATOM 342 C MET A 25 -5.438 2.969 -5.685 1.00 0.00 C ATOM 343 O MET A 25 -6.240 3.005 -6.619 1.00 0.00 O ATOM 344 CB MET A 25 -3.599 4.716 -6.018 1.00 0.00 C ATOM 345 CG MET A 25 -3.986 5.767 -7.068 1.00 0.00 C ATOM 346 SD MET A 25 -4.826 5.156 -8.556 1.00 0.00 S ATOM 347 CE MET A 25 -6.108 6.427 -8.733 1.00 0.00 C ATOM 0 H MET A 25 -3.344 3.803 -3.707 1.00 0.00 H new ATOM 0 HA MET A 25 -5.564 5.020 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.822 5.126 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.170 3.850 -6.522 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.632 6.504 -6.591 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.081 6.289 -7.378 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.722 6.206 -9.606 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.735 6.438 -7.842 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.638 7.403 -8.858 1.00 0.00 H new ATOM 357 N GLY A 26 -5.144 1.829 -5.051 1.00 0.00 N ATOM 358 CA GLY A 26 -5.731 0.521 -5.341 1.00 0.00 C ATOM 359 C GLY A 26 -5.039 -0.617 -4.591 1.00 0.00 C ATOM 360 O GLY A 26 -4.191 -0.401 -3.722 1.00 0.00 O ATOM 0 H GLY A 26 -4.463 1.793 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.788 0.535 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.674 0.332 -6.413 1.00 0.00 H new ATOM 364 N ILE A 27 -5.420 -1.847 -4.927 1.00 0.00 N ATOM 365 CA ILE A 27 -4.833 -3.093 -4.416 1.00 0.00 C ATOM 366 C ILE A 27 -4.298 -3.876 -5.630 1.00 0.00 C ATOM 367 O ILE A 27 -4.911 -3.883 -6.700 1.00 0.00 O ATOM 368 CB ILE A 27 -5.855 -3.898 -3.580 1.00 0.00 C ATOM 369 CG1 ILE A 27 -6.128 -3.266 -2.196 1.00 0.00 C ATOM 370 CG2 ILE A 27 -5.368 -5.328 -3.290 1.00 0.00 C ATOM 371 CD1 ILE A 27 -6.988 -1.999 -2.211 1.00 0.00 C ATOM 0 H ILE A 27 -6.177 -2.015 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.012 -2.885 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.757 -3.898 -4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.617 -4.009 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.172 -3.031 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.118 -5.855 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.209 -5.856 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.432 -5.288 -2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.119 -1.636 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.495 -1.232 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.962 -2.226 -2.644 1.00 0.00 H new ATOM 383 N GLU A 28 -3.163 -4.550 -5.460 1.00 0.00 N ATOM 384 CA GLU A 28 -2.543 -5.433 -6.455 1.00 0.00 C ATOM 385 C GLU A 28 -2.580 -6.898 -5.995 1.00 0.00 C ATOM 386 O GLU A 28 -2.452 -7.208 -4.808 1.00 0.00 O ATOM 387 CB GLU A 28 -1.099 -4.973 -6.756 1.00 0.00 C ATOM 388 CG GLU A 28 -0.986 -4.178 -8.067 1.00 0.00 C ATOM 389 CD GLU A 28 -1.379 -4.989 -9.321 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.185 -6.229 -9.346 1.00 0.00 O ATOM 391 OE2 GLU A 28 -1.900 -4.388 -10.292 1.00 0.00 O ATOM 0 H GLU A 28 -2.627 -4.497 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.119 -5.369 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.740 -4.357 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.448 -5.846 -6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.622 -3.295 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.039 -3.825 -8.180 1.00 0.00 H new ATOM 398 N HIS A 29 -2.733 -7.815 -6.953 1.00 0.00 N ATOM 399 CA HIS A 29 -2.834 -9.263 -6.728 1.00 0.00 C ATOM 400 C HIS A 29 -2.006 -10.009 -7.779 1.00 0.00 C ATOM 401 O HIS A 29 -2.323 -9.968 -8.970 1.00 0.00 O ATOM 402 CB HIS A 29 -4.314 -9.693 -6.777 1.00 0.00 C ATOM 403 CG HIS A 29 -5.200 -9.071 -5.722 1.00 0.00 C ATOM 404 ND1 HIS A 29 -5.070 -9.216 -4.353 1.00 0.00 N ATOM 405 CD2 HIS A 29 -6.325 -8.331 -5.963 1.00 0.00 C ATOM 406 CE1 HIS A 29 -6.109 -8.586 -3.772 1.00 0.00 C ATOM 407 NE2 HIS A 29 -6.885 -8.038 -4.731 1.00 0.00 N ATOM 0 H HIS A 29 -2.792 -7.564 -7.940 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.438 -9.512 -5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.716 -9.444 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.364 -10.777 -6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.704 -8.032 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.292 -8.528 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.738 -7.500 -4.575 1.00 0.00 H new ATOM 416 N THR A 30 -0.939 -10.680 -7.344 1.00 0.00 N ATOM 417 CA THR A 30 -0.026 -11.452 -8.204 1.00 0.00 C ATOM 418 C THR A 30 0.442 -12.750 -7.526 1.00 0.00 C ATOM 419 O THR A 30 0.043 -13.073 -6.404 1.00 0.00 O ATOM 420 CB THR A 30 1.130 -10.549 -8.683 1.00 0.00 C ATOM 421 OG1 THR A 30 1.884 -11.190 -9.691 1.00 0.00 O ATOM 422 CG2 THR A 30 2.083 -10.125 -7.568 1.00 0.00 C ATOM 0 H THR A 30 -0.674 -10.706 -6.359 1.00 0.00 H new ATOM 0 HA THR A 30 -0.565 -11.781 -9.092 1.00 0.00 H new ATOM 0 HB THR A 30 0.648 -9.651 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.610 -10.600 -9.982 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.869 -9.493 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.531 -9.569 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.530 -11.010 -7.116 1.00 0.00 H new ATOM 430 N GLU A 31 1.274 -13.526 -8.216 1.00 0.00 N ATOM 431 CA GLU A 31 1.869 -14.786 -7.766 1.00 0.00 C ATOM 432 C GLU A 31 3.403 -14.714 -7.858 1.00 0.00 C ATOM 433 O GLU A 31 3.974 -14.702 -8.952 1.00 0.00 O ATOM 434 CB GLU A 31 1.283 -15.956 -8.573 1.00 0.00 C ATOM 435 CG GLU A 31 -0.108 -16.348 -8.056 1.00 0.00 C ATOM 436 CD GLU A 31 -0.878 -17.205 -9.077 1.00 0.00 C ATOM 437 OE1 GLU A 31 -0.574 -18.415 -9.218 1.00 0.00 O ATOM 438 OE2 GLU A 31 -1.807 -16.678 -9.737 1.00 0.00 O ATOM 0 H GLU A 31 1.570 -13.279 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 31 1.623 -14.958 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.217 -15.678 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.952 -16.815 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.006 -16.900 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.680 -15.447 -7.833 1.00 0.00 H new ATOM 445 N VAL A 32 4.070 -14.641 -6.701 1.00 0.00 N ATOM 446 CA VAL A 32 5.538 -14.587 -6.546 1.00 0.00 C ATOM 447 C VAL A 32 6.047 -15.889 -5.923 1.00 0.00 C ATOM 448 O VAL A 32 5.372 -16.479 -5.081 1.00 0.00 O ATOM 449 CB VAL A 32 5.992 -13.369 -5.708 1.00 0.00 C ATOM 450 CG1 VAL A 32 5.491 -12.049 -6.307 1.00 0.00 C ATOM 451 CG2 VAL A 32 5.544 -13.436 -4.242 1.00 0.00 C ATOM 0 H VAL A 32 3.585 -14.617 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 32 5.971 -14.470 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 32 7.081 -13.404 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.831 -11.217 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.884 -11.935 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.402 -12.055 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.897 -12.551 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.456 -13.477 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.961 -14.328 -3.774 1.00 0.00 H new ATOM 461 N ALA A 33 7.230 -16.361 -6.330 1.00 0.00 N ATOM 462 CA ALA A 33 7.814 -17.642 -5.893 1.00 0.00 C ATOM 463 C ALA A 33 6.858 -18.865 -6.007 1.00 0.00 C ATOM 464 O ALA A 33 6.983 -19.839 -5.259 1.00 0.00 O ATOM 465 CB ALA A 33 8.394 -17.442 -4.480 1.00 0.00 C ATOM 0 H ALA A 33 7.824 -15.855 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 33 8.613 -17.911 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.834 -18.377 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.161 -16.668 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.598 -17.139 -3.799 1.00 0.00 H new ATOM 471 N GLY A 34 5.891 -18.823 -6.936 1.00 0.00 N ATOM 472 CA GLY A 34 4.852 -19.848 -7.117 1.00 0.00 C ATOM 473 C GLY A 34 3.702 -19.805 -6.095 1.00 0.00 C ATOM 474 O GLY A 34 2.913 -20.750 -6.031 1.00 0.00 O ATOM 0 H GLY A 34 5.808 -18.054 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.432 -19.743 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.322 -20.830 -7.070 1.00 0.00 H new ATOM 478 N GLN A 35 3.593 -18.734 -5.300 1.00 0.00 N ATOM 479 CA GLN A 35 2.590 -18.539 -4.247 1.00 0.00 C ATOM 480 C GLN A 35 1.808 -17.230 -4.458 1.00 0.00 C ATOM 481 O GLN A 35 2.377 -16.201 -4.829 1.00 0.00 O ATOM 482 CB GLN A 35 3.299 -18.526 -2.879 1.00 0.00 C ATOM 483 CG GLN A 35 2.359 -18.948 -1.738 1.00 0.00 C ATOM 484 CD GLN A 35 2.843 -18.442 -0.382 1.00 0.00 C ATOM 485 OE1 GLN A 35 3.724 -19.009 0.254 1.00 0.00 O ATOM 486 NE2 GLN A 35 2.282 -17.360 0.119 1.00 0.00 N ATOM 0 H GLN A 35 4.232 -17.943 -5.377 1.00 0.00 H new ATOM 0 HA GLN A 35 1.872 -19.359 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.157 -19.198 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.684 -17.526 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.358 -18.563 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.284 -20.035 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.548 -16.879 -0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.582 -17.003 1.026 1.00 0.00 H new ATOM 495 N ARG A 36 0.497 -17.246 -4.192 1.00 0.00 N ATOM 496 CA ARG A 36 -0.372 -16.055 -4.239 1.00 0.00 C ATOM 497 C ARG A 36 0.067 -15.047 -3.168 1.00 0.00 C ATOM 498 O ARG A 36 0.102 -15.389 -1.982 1.00 0.00 O ATOM 499 CB ARG A 36 -1.852 -16.459 -4.071 1.00 0.00 C ATOM 500 CG ARG A 36 -2.294 -17.534 -5.084 1.00 0.00 C ATOM 501 CD ARG A 36 -3.799 -17.818 -5.042 1.00 0.00 C ATOM 502 NE ARG A 36 -4.584 -16.702 -5.606 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.897 -16.639 -5.735 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.677 -17.613 -5.357 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.457 -15.585 -6.254 1.00 0.00 N ATOM 0 H ARG A 36 -0.002 -18.097 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.275 -15.576 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.010 -16.832 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.481 -15.576 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.019 -17.213 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.750 -18.458 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.012 -18.730 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.107 -17.994 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.055 -15.892 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.277 -18.457 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.687 -17.531 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.881 -14.802 -6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.471 -15.542 -6.351 1.00 0.00 H new ATOM 519 N GLN A 37 0.430 -13.830 -3.577 1.00 0.00 N ATOM 520 CA GLN A 37 0.854 -12.743 -2.687 1.00 0.00 C ATOM 521 C GLN A 37 0.239 -11.407 -3.128 1.00 0.00 C ATOM 522 O GLN A 37 0.488 -10.910 -4.229 1.00 0.00 O ATOM 523 CB GLN A 37 2.390 -12.688 -2.595 1.00 0.00 C ATOM 524 CG GLN A 37 2.850 -11.843 -1.393 1.00 0.00 C ATOM 525 CD GLN A 37 4.353 -11.951 -1.137 1.00 0.00 C ATOM 526 OE1 GLN A 37 4.873 -12.985 -0.738 1.00 0.00 O ATOM 527 NE2 GLN A 37 5.108 -10.886 -1.309 1.00 0.00 N ATOM 0 H GLN A 37 0.438 -13.564 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 37 0.483 -12.942 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.787 -13.699 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.796 -12.267 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.589 -10.799 -1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.310 -12.162 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.693 -10.015 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.107 -10.932 -1.111 1.00 0.00 H new ATOM 536 N SER A 38 -0.609 -10.847 -2.268 1.00 0.00 N ATOM 537 CA SER A 38 -1.243 -9.537 -2.457 1.00 0.00 C ATOM 538 C SER A 38 -0.324 -8.376 -2.054 1.00 0.00 C ATOM 539 O SER A 38 0.585 -8.524 -1.231 1.00 0.00 O ATOM 540 CB SER A 38 -2.529 -9.498 -1.632 1.00 0.00 C ATOM 541 OG SER A 38 -3.515 -10.309 -2.252 1.00 0.00 O ATOM 0 H SER A 38 -0.884 -11.301 -1.397 1.00 0.00 H new ATOM 0 HA SER A 38 -1.459 -9.411 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.335 -9.853 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.888 -8.472 -1.547 1.00 0.00 H new ATOM 0 HG SER A 38 -3.878 -9.843 -3.034 1.00 0.00 H new ATOM 547 N PHE A 39 -0.595 -7.195 -2.609 1.00 0.00 N ATOM 548 CA PHE A 39 0.132 -5.948 -2.366 1.00 0.00 C ATOM 549 C PHE A 39 -0.831 -4.747 -2.341 1.00 0.00 C ATOM 550 O PHE A 39 -1.918 -4.786 -2.915 1.00 0.00 O ATOM 551 CB PHE A 39 1.183 -5.741 -3.477 1.00 0.00 C ATOM 552 CG PHE A 39 2.290 -6.782 -3.570 1.00 0.00 C ATOM 553 CD1 PHE A 39 2.070 -8.006 -4.232 1.00 0.00 C ATOM 554 CD2 PHE A 39 3.563 -6.510 -3.034 1.00 0.00 C ATOM 555 CE1 PHE A 39 3.098 -8.962 -4.320 1.00 0.00 C ATOM 556 CE2 PHE A 39 4.595 -7.460 -3.138 1.00 0.00 C ATOM 557 CZ PHE A 39 4.363 -8.689 -3.778 1.00 0.00 C ATOM 0 H PHE A 39 -1.362 -7.075 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 39 0.624 -6.017 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.664 -5.709 -4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.645 -4.764 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.106 -8.211 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.748 -5.567 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.913 -9.909 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.569 -7.244 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.155 -9.420 -3.852 1.00 0.00 H new ATOM 567 N TYR A 40 -0.418 -3.648 -1.717 1.00 0.00 N ATOM 568 CA TYR A 40 -1.137 -2.372 -1.671 1.00 0.00 C ATOM 569 C TYR A 40 -0.497 -1.384 -2.658 1.00 0.00 C ATOM 570 O TYR A 40 0.725 -1.205 -2.657 1.00 0.00 O ATOM 571 CB TYR A 40 -1.134 -1.831 -0.231 1.00 0.00 C ATOM 572 CG TYR A 40 -2.374 -2.186 0.556 1.00 0.00 C ATOM 573 CD1 TYR A 40 -3.571 -1.488 0.314 1.00 0.00 C ATOM 574 CD2 TYR A 40 -2.331 -3.206 1.525 1.00 0.00 C ATOM 575 CE1 TYR A 40 -4.739 -1.832 1.021 1.00 0.00 C ATOM 576 CE2 TYR A 40 -3.494 -3.554 2.238 1.00 0.00 C ATOM 577 CZ TYR A 40 -4.705 -2.867 1.984 1.00 0.00 C ATOM 578 OH TYR A 40 -5.838 -3.190 2.665 1.00 0.00 O ATOM 0 H TYR A 40 0.465 -3.618 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.175 -2.514 -1.970 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.260 -2.219 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.032 -0.746 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.594 -0.690 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.403 -3.723 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.662 -1.305 0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.462 -4.342 2.976 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.647 -3.922 3.289 1.00 0.00 H new ATOM 588 N VAL A 41 -1.317 -0.748 -3.505 1.00 0.00 N ATOM 589 CA VAL A 41 -0.893 0.297 -4.452 1.00 0.00 C ATOM 590 C VAL A 41 -1.027 1.653 -3.764 1.00 0.00 C ATOM 591 O VAL A 41 -2.122 2.219 -3.683 1.00 0.00 O ATOM 592 CB VAL A 41 -1.715 0.275 -5.760 1.00 0.00 C ATOM 593 CG1 VAL A 41 -1.144 1.247 -6.799 1.00 0.00 C ATOM 594 CG2 VAL A 41 -1.753 -1.119 -6.391 1.00 0.00 C ATOM 0 H VAL A 41 -2.316 -0.949 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 41 0.143 0.109 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.725 0.576 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.747 1.205 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.162 2.260 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.117 0.967 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.341 -1.087 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.738 -1.441 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.207 -1.822 -5.693 1.00 0.00 H new ATOM 604 N LEU A 42 0.089 2.187 -3.266 1.00 0.00 N ATOM 605 CA LEU A 42 0.128 3.493 -2.612 1.00 0.00 C ATOM 606 C LEU A 42 0.786 4.525 -3.538 1.00 0.00 C ATOM 607 O LEU A 42 1.978 4.432 -3.854 1.00 0.00 O ATOM 608 CB LEU A 42 0.835 3.342 -1.248 1.00 0.00 C ATOM 609 CG LEU A 42 0.747 4.590 -0.348 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.700 5.025 -0.143 1.00 0.00 C ATOM 611 CD2 LEU A 42 1.324 4.310 1.034 1.00 0.00 C ATOM 0 H LEU A 42 0.996 1.722 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.877 3.866 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.400 2.495 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.885 3.106 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 42 1.314 5.372 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.728 5.908 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.149 5.261 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.259 4.217 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.249 5.207 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.765 3.501 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.371 4.021 0.940 1.00 0.00 H new ATOM 623 N ARG A 43 -0.002 5.512 -3.982 1.00 0.00 N ATOM 624 CA ARG A 43 0.473 6.644 -4.787 1.00 0.00 C ATOM 625 C ARG A 43 0.897 7.770 -3.845 1.00 0.00 C ATOM 626 O ARG A 43 0.100 8.263 -3.046 1.00 0.00 O ATOM 627 CB ARG A 43 -0.596 7.086 -5.801 1.00 0.00 C ATOM 628 CG ARG A 43 -0.082 8.244 -6.676 1.00 0.00 C ATOM 629 CD ARG A 43 -1.115 8.744 -7.691 1.00 0.00 C ATOM 630 NE ARG A 43 -1.282 7.830 -8.841 1.00 0.00 N ATOM 631 CZ ARG A 43 -2.062 8.027 -9.891 1.00 0.00 C ATOM 632 NH1 ARG A 43 -2.832 9.074 -9.992 1.00 0.00 N ATOM 633 NH2 ARG A 43 -2.083 7.175 -10.875 1.00 0.00 N ATOM 0 H ARG A 43 -1.003 5.547 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 43 1.340 6.348 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.873 6.243 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.497 7.397 -5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.214 9.072 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.812 7.918 -7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.076 8.870 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.813 9.726 -8.055 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.744 6.964 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.845 9.771 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.422 9.196 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.493 6.343 -10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.689 7.339 -11.679 1.00 0.00 H new ATOM 647 N ILE A 44 2.165 8.154 -3.930 1.00 0.00 N ATOM 648 CA ILE A 44 2.793 9.235 -3.167 1.00 0.00 C ATOM 649 C ILE A 44 2.374 10.587 -3.764 1.00 0.00 C ATOM 650 O ILE A 44 2.882 11.006 -4.806 1.00 0.00 O ATOM 651 CB ILE A 44 4.331 9.071 -3.162 1.00 0.00 C ATOM 652 CG1 ILE A 44 4.816 7.633 -2.857 1.00 0.00 C ATOM 653 CG2 ILE A 44 5.015 10.091 -2.229 1.00 0.00 C ATOM 654 CD1 ILE A 44 4.401 7.069 -1.488 1.00 0.00 C ATOM 0 H ILE A 44 2.820 7.698 -4.565 1.00 0.00 H new ATOM 0 HA ILE A 44 2.458 9.194 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 44 4.636 9.279 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.437 6.969 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.904 7.614 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.094 9.941 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.781 11.102 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.654 9.951 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.792 6.058 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.803 7.702 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.313 7.047 -1.418 1.00 0.00 H new ATOM 666 N LEU A 45 1.453 11.284 -3.092 1.00 0.00 N ATOM 667 CA LEU A 45 0.936 12.608 -3.481 1.00 0.00 C ATOM 668 C LEU A 45 2.018 13.707 -3.612 1.00 0.00 C ATOM 669 O LEU A 45 1.761 14.745 -4.220 1.00 0.00 O ATOM 670 CB LEU A 45 -0.151 13.042 -2.471 1.00 0.00 C ATOM 671 CG LEU A 45 -1.586 12.638 -2.859 1.00 0.00 C ATOM 672 CD1 LEU A 45 -1.808 11.127 -2.858 1.00 0.00 C ATOM 673 CD2 LEU A 45 -2.570 13.253 -1.862 1.00 0.00 C ATOM 0 H LEU A 45 1.030 10.934 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 45 0.519 12.497 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.083 12.611 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.111 14.125 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.746 13.003 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.838 10.910 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.131 10.659 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.614 10.731 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.587 12.970 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.347 12.889 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.478 14.339 -1.883 1.00 0.00 H new ATOM 685 N GLU A 46 3.225 13.483 -3.080 1.00 0.00 N ATOM 686 CA GLU A 46 4.383 14.390 -3.150 1.00 0.00 C ATOM 687 C GLU A 46 4.740 14.771 -4.602 1.00 0.00 C ATOM 688 O GLU A 46 4.803 15.955 -4.941 1.00 0.00 O ATOM 689 CB GLU A 46 5.575 13.725 -2.428 1.00 0.00 C ATOM 690 CG GLU A 46 6.641 14.693 -1.893 1.00 0.00 C ATOM 691 CD GLU A 46 7.417 15.464 -2.983 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.066 14.830 -3.852 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.414 16.719 -2.948 1.00 0.00 O ATOM 0 H GLU A 46 3.433 12.627 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 46 4.129 15.326 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.191 13.136 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.053 13.029 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.159 15.413 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.353 14.131 -1.289 1.00 0.00 H new ATOM 700 N ASN A 47 4.948 13.766 -5.464 1.00 0.00 N ATOM 701 CA ASN A 47 5.334 13.925 -6.875 1.00 0.00 C ATOM 702 C ASN A 47 4.535 13.037 -7.859 1.00 0.00 C ATOM 703 O ASN A 47 4.833 13.011 -9.055 1.00 0.00 O ATOM 704 CB ASN A 47 6.856 13.731 -6.999 1.00 0.00 C ATOM 705 CG ASN A 47 7.566 14.967 -7.530 1.00 0.00 C ATOM 706 OD1 ASN A 47 7.298 15.457 -8.620 1.00 0.00 O ATOM 707 ND2 ASN A 47 8.513 15.501 -6.792 1.00 0.00 N ATOM 0 H ASN A 47 4.849 12.788 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 47 5.070 14.938 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.266 13.474 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.058 12.889 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.021 16.319 -7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.740 15.097 -5.883 1.00 0.00 H new ATOM 714 N GLY A 48 3.545 12.278 -7.373 1.00 0.00 N ATOM 715 CA GLY A 48 2.829 11.255 -8.148 1.00 0.00 C ATOM 716 C GLY A 48 3.585 9.923 -8.279 1.00 0.00 C ATOM 717 O GLY A 48 3.235 9.104 -9.132 1.00 0.00 O ATOM 0 H GLY A 48 3.212 12.359 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.864 11.068 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.627 11.645 -9.145 1.00 0.00 H new ATOM 721 N MET A 49 4.627 9.701 -7.464 1.00 0.00 N ATOM 722 CA MET A 49 5.381 8.439 -7.398 1.00 0.00 C ATOM 723 C MET A 49 4.499 7.259 -6.947 1.00 0.00 C ATOM 724 O MET A 49 3.424 7.439 -6.369 1.00 0.00 O ATOM 725 CB MET A 49 6.588 8.584 -6.448 1.00 0.00 C ATOM 726 CG MET A 49 7.795 9.260 -7.105 1.00 0.00 C ATOM 727 SD MET A 49 9.318 9.222 -6.110 1.00 0.00 S ATOM 728 CE MET A 49 8.777 10.026 -4.574 1.00 0.00 C ATOM 0 H MET A 49 4.977 10.409 -6.818 1.00 0.00 H new ATOM 0 HA MET A 49 5.734 8.222 -8.406 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.287 9.162 -5.574 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.882 7.597 -6.091 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.990 8.776 -8.062 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.542 10.298 -7.319 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.637 10.183 -3.923 1.00 0.00 H new ATOM 0 HE2 MET A 49 8.319 10.987 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.050 9.391 -4.068 1.00 0.00 H new ATOM 738 N ARG A 50 4.993 6.036 -7.158 1.00 0.00 N ATOM 739 CA ARG A 50 4.342 4.764 -6.804 1.00 0.00 C ATOM 740 C ARG A 50 5.267 3.913 -5.930 1.00 0.00 C ATOM 741 O ARG A 50 6.431 3.712 -6.279 1.00 0.00 O ATOM 742 CB ARG A 50 3.880 4.047 -8.092 1.00 0.00 C ATOM 743 CG ARG A 50 5.019 3.662 -9.062 1.00 0.00 C ATOM 744 CD ARG A 50 4.511 3.160 -10.422 1.00 0.00 C ATOM 745 NE ARG A 50 3.798 4.206 -11.187 1.00 0.00 N ATOM 746 CZ ARG A 50 4.314 5.212 -11.873 1.00 0.00 C ATOM 747 NH1 ARG A 50 5.599 5.406 -11.974 1.00 0.00 N ATOM 748 NH2 ARG A 50 3.535 6.060 -12.481 1.00 0.00 N ATOM 0 H ARG A 50 5.901 5.895 -7.601 1.00 0.00 H new ATOM 0 HA ARG A 50 3.451 4.950 -6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.338 3.143 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.176 4.692 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.662 4.528 -9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.633 2.888 -8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.355 2.798 -11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.844 2.312 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 50 2.780 4.144 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.249 4.769 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.955 6.195 -12.513 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.522 5.950 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.938 6.834 -13.009 1.00 0.00 H new ATOM 762 N ILE A 51 4.763 3.433 -4.793 1.00 0.00 N ATOM 763 CA ILE A 51 5.489 2.550 -3.865 1.00 0.00 C ATOM 764 C ILE A 51 4.607 1.342 -3.528 1.00 0.00 C ATOM 765 O ILE A 51 3.531 1.491 -2.945 1.00 0.00 O ATOM 766 CB ILE A 51 5.976 3.308 -2.602 1.00 0.00 C ATOM 767 CG1 ILE A 51 6.924 4.470 -2.994 1.00 0.00 C ATOM 768 CG2 ILE A 51 6.677 2.319 -1.649 1.00 0.00 C ATOM 769 CD1 ILE A 51 7.515 5.256 -1.815 1.00 0.00 C ATOM 0 H ILE A 51 3.817 3.649 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 51 6.396 2.189 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 51 5.117 3.742 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.744 4.065 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.378 5.163 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.020 2.850 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.976 1.537 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.531 1.869 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.164 6.046 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.708 5.698 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.094 4.583 -1.183 1.00 0.00 H new ATOM 781 N MET A 52 5.043 0.144 -3.932 1.00 0.00 N ATOM 782 CA MET A 52 4.356 -1.107 -3.587 1.00 0.00 C ATOM 783 C MET A 52 4.522 -1.425 -2.094 1.00 0.00 C ATOM 784 O MET A 52 5.570 -1.150 -1.503 1.00 0.00 O ATOM 785 CB MET A 52 4.895 -2.301 -4.392 1.00 0.00 C ATOM 786 CG MET A 52 5.034 -2.053 -5.897 1.00 0.00 C ATOM 787 SD MET A 52 4.930 -3.577 -6.877 1.00 0.00 S ATOM 788 CE MET A 52 5.819 -3.057 -8.368 1.00 0.00 C ATOM 0 H MET A 52 5.877 0.013 -4.504 1.00 0.00 H new ATOM 0 HA MET A 52 3.304 -0.958 -3.830 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.870 -2.579 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.233 -3.153 -4.238 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.253 -1.365 -6.220 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.989 -1.566 -6.093 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.848 -3.881 -9.080 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.308 -2.206 -8.818 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.837 -2.770 -8.103 1.00 0.00 H new ATOM 798 N ILE A 53 3.513 -2.063 -1.500 1.00 0.00 N ATOM 799 CA ILE A 53 3.495 -2.458 -0.085 1.00 0.00 C ATOM 800 C ILE A 53 3.057 -3.935 0.026 1.00 0.00 C ATOM 801 O ILE A 53 1.870 -4.218 -0.151 1.00 0.00 O ATOM 802 CB ILE A 53 2.610 -1.477 0.720 1.00 0.00 C ATOM 803 CG1 ILE A 53 3.210 -0.053 0.711 1.00 0.00 C ATOM 804 CG2 ILE A 53 2.415 -1.972 2.163 1.00 0.00 C ATOM 805 CD1 ILE A 53 2.379 0.987 1.467 1.00 0.00 C ATOM 0 H ILE A 53 2.663 -2.327 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 53 4.491 -2.395 0.353 1.00 0.00 H new ATOM 0 HB ILE A 53 1.634 -1.437 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.208 -0.090 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.325 0.273 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.790 -1.265 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.932 -2.949 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.385 -2.053 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.872 1.958 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.388 1.057 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.285 0.688 2.511 1.00 0.00 H new ATOM 817 N PRO A 54 3.970 -4.897 0.272 1.00 0.00 N ATOM 818 CA PRO A 54 3.620 -6.312 0.443 1.00 0.00 C ATOM 819 C PRO A 54 2.807 -6.533 1.724 1.00 0.00 C ATOM 820 O PRO A 54 3.291 -6.215 2.812 1.00 0.00 O ATOM 821 CB PRO A 54 4.955 -7.070 0.494 1.00 0.00 C ATOM 822 CG PRO A 54 5.986 -6.021 0.905 1.00 0.00 C ATOM 823 CD PRO A 54 5.410 -4.702 0.398 1.00 0.00 C ATOM 0 HA PRO A 54 2.992 -6.667 -0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.917 -7.889 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.199 -7.506 -0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.126 -6.004 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.960 -6.226 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.632 -3.891 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.850 -4.431 -0.562 1.00 0.00 H new ATOM 831 N ILE A 55 1.604 -7.126 1.639 1.00 0.00 N ATOM 832 CA ILE A 55 0.753 -7.362 2.829 1.00 0.00 C ATOM 833 C ILE A 55 1.427 -8.217 3.919 1.00 0.00 C ATOM 834 O ILE A 55 1.022 -8.170 5.080 1.00 0.00 O ATOM 835 CB ILE A 55 -0.638 -7.938 2.484 1.00 0.00 C ATOM 836 CG1 ILE A 55 -0.601 -9.404 1.997 1.00 0.00 C ATOM 837 CG2 ILE A 55 -1.382 -7.027 1.489 1.00 0.00 C ATOM 838 CD1 ILE A 55 -1.994 -10.044 1.953 1.00 0.00 C ATOM 0 H ILE A 55 1.195 -7.452 0.763 1.00 0.00 H new ATOM 0 HA ILE A 55 0.609 -6.364 3.243 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.198 -7.958 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.156 -9.442 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.042 -9.986 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.358 -7.456 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.513 -6.038 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.802 -6.942 0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.911 -11.073 1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.431 -10.034 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.632 -9.481 1.272 1.00 0.00 H new ATOM 850 N ASN A 56 2.486 -8.950 3.554 1.00 0.00 N ATOM 851 CA ASN A 56 3.331 -9.787 4.408 1.00 0.00 C ATOM 852 C ASN A 56 3.840 -9.044 5.666 1.00 0.00 C ATOM 853 O ASN A 56 3.835 -9.613 6.761 1.00 0.00 O ATOM 854 CB ASN A 56 4.473 -10.327 3.522 1.00 0.00 C ATOM 855 CG ASN A 56 5.030 -11.649 4.025 1.00 0.00 C ATOM 856 OD1 ASN A 56 5.717 -11.725 5.033 1.00 0.00 O ATOM 857 ND2 ASN A 56 4.760 -12.734 3.331 1.00 0.00 N ATOM 0 H ASN A 56 2.796 -8.974 2.582 1.00 0.00 H new ATOM 0 HA ASN A 56 2.750 -10.615 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.107 -10.455 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.276 -9.591 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.124 -13.637 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.187 -12.672 2.490 1.00 0.00 H new ATOM 864 N LYS A 57 4.238 -7.765 5.527 1.00 0.00 N ATOM 865 CA LYS A 57 4.650 -6.886 6.648 1.00 0.00 C ATOM 866 C LYS A 57 3.483 -6.107 7.278 1.00 0.00 C ATOM 867 O LYS A 57 3.563 -5.712 8.441 1.00 0.00 O ATOM 868 CB LYS A 57 5.767 -5.914 6.214 1.00 0.00 C ATOM 869 CG LYS A 57 5.409 -5.032 5.003 1.00 0.00 C ATOM 870 CD LYS A 57 6.318 -3.804 4.844 1.00 0.00 C ATOM 871 CE LYS A 57 5.926 -2.694 5.832 1.00 0.00 C ATOM 872 NZ LYS A 57 6.744 -1.468 5.634 1.00 0.00 N ATOM 0 H LYS A 57 4.284 -7.302 4.619 1.00 0.00 H new ATOM 0 HA LYS A 57 5.034 -7.554 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.018 -5.269 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.661 -6.490 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.465 -5.635 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.376 -4.698 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.356 -4.092 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.250 -3.427 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.871 -2.452 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.052 -3.054 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.451 -0.741 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.749 -1.694 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.605 -1.110 4.668 1.00 0.00 H new ATOM 886 N VAL A 58 2.413 -5.873 6.514 1.00 0.00 N ATOM 887 CA VAL A 58 1.241 -5.067 6.898 1.00 0.00 C ATOM 888 C VAL A 58 0.355 -5.803 7.911 1.00 0.00 C ATOM 889 O VAL A 58 0.049 -5.268 8.975 1.00 0.00 O ATOM 890 CB VAL A 58 0.405 -4.688 5.657 1.00 0.00 C ATOM 891 CG1 VAL A 58 -0.693 -3.691 6.003 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.225 -4.007 4.561 1.00 0.00 C ATOM 0 H VAL A 58 2.332 -6.254 5.571 1.00 0.00 H new ATOM 0 HA VAL A 58 1.617 -4.158 7.368 1.00 0.00 H new ATOM 0 HB VAL A 58 0.007 -5.640 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.260 -3.448 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.360 -4.128 6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.246 -2.783 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.577 -3.767 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.665 -3.090 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.018 -4.678 4.230 1.00 0.00 H new ATOM 902 N GLY A 59 -0.119 -7.003 7.554 1.00 0.00 N ATOM 903 CA GLY A 59 -1.056 -7.832 8.329 1.00 0.00 C ATOM 904 C GLY A 59 -2.506 -7.316 8.452 1.00 0.00 C ATOM 905 O GLY A 59 -3.358 -8.038 8.972 1.00 0.00 O ATOM 0 H GLY A 59 0.152 -7.445 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.086 -8.823 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.652 -7.952 9.334 1.00 0.00 H new ATOM 909 N SER A 60 -2.803 -6.093 7.990 1.00 0.00 N ATOM 910 CA SER A 60 -4.130 -5.440 7.974 1.00 0.00 C ATOM 911 C SER A 60 -4.112 -4.170 7.104 1.00 0.00 C ATOM 912 O SER A 60 -4.539 -4.214 5.949 1.00 0.00 O ATOM 913 CB SER A 60 -4.603 -5.105 9.402 1.00 0.00 C ATOM 914 OG SER A 60 -5.284 -6.205 9.981 1.00 0.00 O ATOM 0 H SER A 60 -2.082 -5.492 7.592 1.00 0.00 H new ATOM 0 HA SER A 60 -4.837 -6.145 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.746 -4.837 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.262 -4.237 9.377 1.00 0.00 H new ATOM 0 HG SER A 60 -4.812 -7.035 9.761 1.00 0.00 H new ATOM 920 N VAL A 61 -3.589 -3.051 7.633 1.00 0.00 N ATOM 921 CA VAL A 61 -3.458 -1.752 6.930 1.00 0.00 C ATOM 922 C VAL A 61 -2.110 -1.059 7.142 1.00 0.00 C ATOM 923 O VAL A 61 -1.585 -0.474 6.200 1.00 0.00 O ATOM 924 CB VAL A 61 -4.590 -0.764 7.289 1.00 0.00 C ATOM 925 CG1 VAL A 61 -5.927 -1.224 6.707 1.00 0.00 C ATOM 926 CG2 VAL A 61 -4.766 -0.536 8.799 1.00 0.00 C ATOM 0 H VAL A 61 -3.234 -3.018 8.589 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.532 -2.022 5.877 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.283 0.184 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.706 -0.510 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.849 -1.285 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.180 -2.205 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.580 0.170 8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.000 -1.483 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.843 -0.132 9.216 1.00 0.00 H new ATOM 936 N GLY A 62 -1.533 -1.103 8.350 1.00 0.00 N ATOM 937 CA GLY A 62 -0.278 -0.417 8.711 1.00 0.00 C ATOM 938 C GLY A 62 -0.320 1.124 8.673 1.00 0.00 C ATOM 939 O GLY A 62 0.666 1.768 9.022 1.00 0.00 O ATOM 0 H GLY A 62 -1.934 -1.630 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.009 -0.729 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.507 -0.757 8.035 1.00 0.00 H new ATOM 943 N LEU A 63 -1.439 1.727 8.263 1.00 0.00 N ATOM 944 CA LEU A 63 -1.671 3.170 8.158 1.00 0.00 C ATOM 945 C LEU A 63 -2.338 3.717 9.439 1.00 0.00 C ATOM 946 O LEU A 63 -3.190 3.051 10.034 1.00 0.00 O ATOM 947 CB LEU A 63 -2.561 3.429 6.923 1.00 0.00 C ATOM 948 CG LEU A 63 -1.792 3.697 5.611 1.00 0.00 C ATOM 949 CD1 LEU A 63 -1.200 2.430 5.000 1.00 0.00 C ATOM 950 CD2 LEU A 63 -2.724 4.309 4.564 1.00 0.00 C ATOM 0 H LEU A 63 -2.257 1.188 7.978 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.719 3.688 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.212 2.567 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.205 4.284 7.130 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.982 4.377 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.672 2.682 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.504 1.977 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.001 1.725 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.168 4.492 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.545 3.621 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.125 5.251 4.940 1.00 0.00 H new ATOM 962 N ARG A 64 -1.993 4.954 9.830 1.00 0.00 N ATOM 963 CA ARG A 64 -2.559 5.695 10.980 1.00 0.00 C ATOM 964 C ARG A 64 -2.752 7.179 10.654 1.00 0.00 C ATOM 965 O ARG A 64 -1.793 7.878 10.352 1.00 0.00 O ATOM 966 CB ARG A 64 -1.611 5.510 12.185 1.00 0.00 C ATOM 967 CG ARG A 64 -2.149 4.466 13.172 1.00 0.00 C ATOM 968 CD ARG A 64 -1.039 3.967 14.104 1.00 0.00 C ATOM 969 NE ARG A 64 -1.596 3.289 15.291 1.00 0.00 N ATOM 970 CZ ARG A 64 -2.020 3.858 16.407 1.00 0.00 C ATOM 971 NH1 ARG A 64 -1.977 5.149 16.586 1.00 0.00 N ATOM 972 NH2 ARG A 64 -2.506 3.136 17.375 1.00 0.00 N ATOM 0 H ARG A 64 -1.282 5.493 9.335 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.546 5.299 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.627 5.203 11.831 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.482 6.464 12.697 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.956 4.900 13.762 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.573 3.625 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.389 3.280 13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.422 4.808 14.420 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.661 2.272 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.608 5.754 15.852 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.313 5.554 17.460 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.562 2.122 17.277 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.831 3.584 18.232 1.00 0.00 H new ATOM 986 N GLU A 65 -3.984 7.681 10.674 1.00 0.00 N ATOM 987 CA GLU A 65 -4.275 9.107 10.441 1.00 0.00 C ATOM 988 C GLU A 65 -4.102 9.939 11.728 1.00 0.00 C ATOM 989 O GLU A 65 -4.571 9.554 12.802 1.00 0.00 O ATOM 990 CB GLU A 65 -5.703 9.255 9.877 1.00 0.00 C ATOM 991 CG GLU A 65 -6.078 10.713 9.582 1.00 0.00 C ATOM 992 CD GLU A 65 -7.307 10.830 8.655 1.00 0.00 C ATOM 993 OE1 GLU A 65 -8.375 10.250 8.971 1.00 0.00 O ATOM 994 OE2 GLU A 65 -7.221 11.537 7.622 1.00 0.00 O ATOM 0 H GLU A 65 -4.815 7.116 10.852 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.560 9.492 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.789 8.670 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.415 8.839 10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.284 11.229 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.229 11.217 9.120 1.00 0.00 H new ATOM 1001 N ILE A 66 -3.465 11.109 11.598 1.00 0.00 N ATOM 1002 CA ILE A 66 -3.276 12.118 12.665 1.00 0.00 C ATOM 1003 C ILE A 66 -4.090 13.395 12.469 1.00 0.00 C ATOM 1004 O ILE A 66 -4.099 14.260 13.345 1.00 0.00 O ATOM 1005 CB ILE A 66 -1.790 12.495 12.822 1.00 0.00 C ATOM 1006 CG1 ILE A 66 -1.212 12.974 11.474 1.00 0.00 C ATOM 1007 CG2 ILE A 66 -1.043 11.304 13.422 1.00 0.00 C ATOM 1008 CD1 ILE A 66 0.188 13.587 11.570 1.00 0.00 C ATOM 0 H ILE A 66 -3.047 11.397 10.713 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.644 11.634 13.570 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.671 13.334 13.508 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.180 12.130 10.786 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.890 13.711 11.043 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.011 11.557 13.539 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.468 11.061 14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.138 10.444 12.760 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.518 13.897 10.579 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.161 14.454 12.231 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.882 12.848 11.969 1.00 0.00 H new ATOM 1020 N ILE A 67 -4.755 13.524 11.320 1.00 0.00 N ATOM 1021 CA ILE A 67 -5.644 14.645 11.000 1.00 0.00 C ATOM 1022 C ILE A 67 -6.818 14.665 11.996 1.00 0.00 C ATOM 1023 O ILE A 67 -7.844 14.005 11.827 1.00 0.00 O ATOM 1024 CB ILE A 67 -6.095 14.716 9.527 1.00 0.00 C ATOM 1025 CG1 ILE A 67 -4.976 15.076 8.522 1.00 0.00 C ATOM 1026 CG2 ILE A 67 -7.149 15.833 9.405 1.00 0.00 C ATOM 1027 CD1 ILE A 67 -3.874 14.031 8.363 1.00 0.00 C ATOM 0 H ILE A 67 -4.690 12.837 10.568 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.063 15.560 11.117 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.458 13.718 9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.430 15.251 7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.520 16.015 8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.485 15.904 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.999 15.603 10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.710 16.783 9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.141 14.382 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.384 13.870 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.309 13.094 8.016 1.00 0.00 H new ATOM 1039 N SER A 68 -6.635 15.446 13.054 1.00 0.00 N ATOM 1040 CA SER A 68 -7.599 15.727 14.131 1.00 0.00 C ATOM 1041 C SER A 68 -8.590 16.852 13.751 1.00 0.00 C ATOM 1042 O SER A 68 -9.011 17.661 14.581 1.00 0.00 O ATOM 1043 CB SER A 68 -6.819 16.020 15.424 1.00 0.00 C ATOM 1044 OG SER A 68 -7.626 15.859 16.584 1.00 0.00 O ATOM 0 H SER A 68 -5.753 15.936 13.199 1.00 0.00 H new ATOM 0 HA SER A 68 -8.227 14.851 14.295 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.958 15.354 15.486 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.432 17.038 15.391 1.00 0.00 H new ATOM 0 HG SER A 68 -8.441 16.396 16.493 1.00 0.00 H new ATOM 1050 N GLU A 69 -8.949 16.948 12.466 1.00 0.00 N ATOM 1051 CA GLU A 69 -9.945 17.880 11.937 1.00 0.00 C ATOM 1052 C GLU A 69 -11.373 17.355 12.176 1.00 0.00 C ATOM 1053 O GLU A 69 -11.751 16.284 11.694 1.00 0.00 O ATOM 1054 CB GLU A 69 -9.658 18.139 10.449 1.00 0.00 C ATOM 1055 CG GLU A 69 -10.690 19.095 9.840 1.00 0.00 C ATOM 1056 CD GLU A 69 -10.093 19.928 8.689 1.00 0.00 C ATOM 1057 OE1 GLU A 69 -10.086 19.458 7.525 1.00 0.00 O ATOM 1058 OE2 GLU A 69 -9.634 21.069 8.941 1.00 0.00 O ATOM 0 H GLU A 69 -8.539 16.358 11.743 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.875 18.830 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.659 18.560 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.669 17.195 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.541 18.523 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.067 19.763 10.614 1.00 0.00 H new ATOM 1065 N GLU A 70 -12.166 18.119 12.931 1.00 0.00 N ATOM 1066 CA GLU A 70 -13.573 17.849 13.272 1.00 0.00 C ATOM 1067 C GLU A 70 -14.462 19.078 12.955 1.00 0.00 C ATOM 1068 O GLU A 70 -14.018 20.026 12.297 1.00 0.00 O ATOM 1069 CB GLU A 70 -13.691 17.412 14.748 1.00 0.00 C ATOM 1070 CG GLU A 70 -12.758 16.254 15.140 1.00 0.00 C ATOM 1071 CD GLU A 70 -13.082 15.730 16.553 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -12.733 16.402 17.555 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -13.683 14.634 16.676 1.00 0.00 O ATOM 0 H GLU A 70 -11.831 18.989 13.345 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.935 17.026 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.476 18.269 15.387 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.721 17.117 14.946 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.857 15.444 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.722 16.590 15.103 1.00 0.00 H new ATOM 1080 N ASP A 71 -15.735 19.054 13.376 1.00 0.00 N ATOM 1081 CA ASP A 71 -16.701 20.170 13.253 1.00 0.00 C ATOM 1082 C ASP A 71 -16.543 21.255 14.358 1.00 0.00 C ATOM 1083 O ASP A 71 -17.556 21.827 14.821 1.00 0.00 O ATOM 1084 CB ASP A 71 -18.124 19.566 13.191 1.00 0.00 C ATOM 1085 CG ASP A 71 -19.228 20.563 12.758 1.00 0.00 C ATOM 1086 OD1 ASP A 71 -19.043 21.288 11.747 1.00 0.00 O ATOM 1087 OD2 ASP A 71 -20.323 20.569 13.378 1.00 0.00 O ATOM 1088 OXT ASP A 71 -15.396 21.552 14.768 1.00 0.00 O ATOM 0 H ASP A 71 -16.140 18.233 13.827 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.498 20.717 12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.118 18.726 12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.378 19.166 14.173 1.00 0.00 H new TER 1093 ASP A 71