USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 21 MET CE :methyl 178:sc= -0.369 (180deg=-0.381) USER MOD Set 1.2: A 35 HIS :FLIP no HD1:sc= -1.69 F(o=-3.5,f=-2.1) USER MOD Set 2.1: A 1 MET N :NH3+ -178:sc= -3.08 (180deg=-2.29) USER MOD Set 2.2: A 3 LYS NZ :NH3+ 163:sc= -0.844 (180deg=0) USER MOD Single : A 1 MET CE :methyl 150:sc= -1.59 (180deg=-2.97!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 14 SER OG : rot 126:sc= -1.3 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0274 (180deg=-0.299) USER MOD Single : A 28 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1) USER MOD Single : A 30 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-3.1!) USER MOD Single : A 34 CYS SG : rot 94:sc= -6.51! USER MOD Single : A 37 SER OG : rot -132:sc= -2.63! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 102:sc= 0.724 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 59:sc= -0.635! USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= -0.673 (180deg=-1.94) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -0.473 (180deg=-1.87!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.552 -1.677 15.422 1.00 0.00 N ATOM 2 CA MET A 1 18.792 -1.345 16.162 1.00 0.00 C ATOM 3 C MET A 1 18.448 -0.640 17.467 1.00 0.00 C ATOM 4 O MET A 1 19.324 -0.233 18.204 1.00 0.00 O ATOM 5 CB MET A 1 19.668 -0.406 15.318 1.00 0.00 C ATOM 6 CG MET A 1 19.892 -1.031 13.939 1.00 0.00 C ATOM 7 SD MET A 1 20.609 -2.691 13.885 1.00 0.00 S ATOM 8 CE MET A 1 19.143 -3.550 13.260 1.00 0.00 C ATOM 0 H1 MET A 1 17.795 -2.188 14.549 1.00 0.00 H new ATOM 0 H2 MET A 1 16.943 -2.276 16.016 1.00 0.00 H new ATOM 0 H3 MET A 1 17.046 -0.801 15.181 1.00 0.00 H new ATOM 0 HA MET A 1 19.329 -2.271 16.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.186 0.566 15.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.624 -0.238 15.814 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.932 -1.061 13.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.540 -0.365 13.369 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.451 -4.409 12.664 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.535 -3.889 14.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.559 -2.869 12.640 1.00 0.00 H new ATOM 17 N ALA A 2 17.177 -0.510 17.732 1.00 0.00 N ATOM 18 CA ALA A 2 16.763 0.166 18.986 1.00 0.00 C ATOM 19 C ALA A 2 15.244 0.176 19.123 1.00 0.00 C ATOM 20 O ALA A 2 14.614 1.209 19.001 1.00 0.00 O ATOM 21 CB ALA A 2 17.266 1.617 18.942 1.00 0.00 C ATOM 0 H ALA A 2 16.416 -0.840 17.138 1.00 0.00 H new ATOM 0 HA ALA A 2 17.185 -0.371 19.836 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.971 2.132 19.856 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.353 1.623 18.856 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.831 2.127 18.082 1.00 0.00 H new ATOM 27 N LYS A 3 14.685 -0.978 19.379 1.00 0.00 N ATOM 28 CA LYS A 3 13.208 -1.063 19.530 1.00 0.00 C ATOM 29 C LYS A 3 12.816 -1.042 21.004 1.00 0.00 C ATOM 30 O LYS A 3 13.159 -1.937 21.750 1.00 0.00 O ATOM 31 CB LYS A 3 12.737 -2.391 18.915 1.00 0.00 C ATOM 32 CG LYS A 3 12.474 -2.188 17.422 1.00 0.00 C ATOM 33 CD LYS A 3 13.781 -1.791 16.731 1.00 0.00 C ATOM 34 CE LYS A 3 13.540 -1.683 15.225 1.00 0.00 C ATOM 35 NZ LYS A 3 14.823 -1.817 14.479 1.00 0.00 N ATOM 0 H LYS A 3 15.187 -1.859 19.489 1.00 0.00 H new ATOM 0 HA LYS A 3 12.746 -0.211 19.031 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.493 -3.162 19.062 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.830 -2.735 19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.080 -3.104 16.982 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.721 -1.414 17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.139 -0.839 17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.554 -2.532 16.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.844 -2.459 14.906 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.076 -0.724 14.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.624 -2.030 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.357 -0.927 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.385 -2.588 14.892 1.00 0.00 H new ATOM 49 N LYS A 4 12.104 -0.020 21.400 1.00 0.00 N ATOM 50 CA LYS A 4 11.688 0.066 22.823 1.00 0.00 C ATOM 51 C LYS A 4 10.721 1.223 23.043 1.00 0.00 C ATOM 52 O LYS A 4 10.988 2.341 22.644 1.00 0.00 O ATOM 53 CB LYS A 4 12.942 0.300 23.677 1.00 0.00 C ATOM 54 CG LYS A 4 13.708 1.504 23.125 1.00 0.00 C ATOM 55 CD LYS A 4 15.159 1.437 23.604 1.00 0.00 C ATOM 56 CE LYS A 4 15.831 2.792 23.366 1.00 0.00 C ATOM 57 NZ LYS A 4 17.084 2.898 24.165 1.00 0.00 N ATOM 0 H LYS A 4 11.797 0.749 20.804 1.00 0.00 H new ATOM 0 HA LYS A 4 11.186 -0.860 23.102 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.662 0.477 24.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.576 -0.587 23.664 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.671 1.506 22.036 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.244 2.431 23.461 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.193 1.182 24.663 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.695 0.653 23.069 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.057 2.912 22.306 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.149 3.597 23.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.528 3.822 23.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 16.860 2.804 25.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.740 2.141 23.884 1.00 0.00 H new ATOM 71 N ASP A 5 9.613 0.927 23.683 1.00 0.00 N ATOM 72 CA ASP A 5 8.598 1.986 23.952 1.00 0.00 C ATOM 73 C ASP A 5 8.509 2.277 25.447 1.00 0.00 C ATOM 74 O ASP A 5 9.366 1.876 26.210 1.00 0.00 O ATOM 75 CB ASP A 5 7.233 1.478 23.464 1.00 0.00 C ATOM 76 CG ASP A 5 7.413 0.762 22.123 1.00 0.00 C ATOM 77 OD1 ASP A 5 7.166 1.416 21.122 1.00 0.00 O ATOM 78 OD2 ASP A 5 7.788 -0.397 22.175 1.00 0.00 O ATOM 0 H ASP A 5 9.372 -0.002 24.028 1.00 0.00 H new ATOM 0 HA ASP A 5 8.885 2.901 23.433 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.801 0.798 24.198 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.539 2.311 23.355 1.00 0.00 H new ATOM 83 N VAL A 6 7.469 2.969 25.840 1.00 0.00 N ATOM 84 CA VAL A 6 7.310 3.297 27.283 1.00 0.00 C ATOM 85 C VAL A 6 5.842 3.286 27.687 1.00 0.00 C ATOM 86 O VAL A 6 4.972 3.120 26.855 1.00 0.00 O ATOM 87 CB VAL A 6 7.859 4.710 27.517 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.335 4.626 27.905 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.715 5.521 26.227 1.00 0.00 C ATOM 0 H VAL A 6 6.731 3.317 25.228 1.00 0.00 H new ATOM 0 HA VAL A 6 7.845 2.554 27.874 1.00 0.00 H new ATOM 0 HB VAL A 6 7.303 5.193 28.320 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.725 5.630 28.071 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.438 4.041 28.819 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.896 4.147 27.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.103 6.527 26.385 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.276 5.037 25.428 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.663 5.577 25.948 1.00 0.00 H new ATOM 99 N ILE A 7 5.598 3.467 28.966 1.00 0.00 N ATOM 100 CA ILE A 7 4.190 3.474 29.459 1.00 0.00 C ATOM 101 C ILE A 7 3.769 4.890 29.836 1.00 0.00 C ATOM 102 O ILE A 7 4.121 5.384 30.888 1.00 0.00 O ATOM 103 CB ILE A 7 4.106 2.590 30.704 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.606 1.192 30.378 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.634 2.493 31.137 1.00 0.00 C ATOM 106 CD1 ILE A 7 3.855 0.662 29.155 1.00 0.00 C ATOM 0 H ILE A 7 6.311 3.609 29.682 1.00 0.00 H new ATOM 0 HA ILE A 7 3.532 3.102 28.674 1.00 0.00 H new ATOM 0 HB ILE A 7 4.716 3.020 31.498 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.678 1.213 30.181 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.452 0.530 31.230 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.556 1.865 32.025 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.255 3.490 31.363 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.046 2.055 30.331 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.210 -0.341 28.917 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.787 0.627 29.371 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.032 1.321 28.305 1.00 0.00 H new ATOM 118 N GLU A 8 3.018 5.518 28.973 1.00 0.00 N ATOM 119 CA GLU A 8 2.570 6.901 29.270 1.00 0.00 C ATOM 120 C GLU A 8 1.355 6.900 30.193 1.00 0.00 C ATOM 121 O GLU A 8 0.297 6.428 29.826 1.00 0.00 O ATOM 122 CB GLU A 8 2.182 7.579 27.948 1.00 0.00 C ATOM 123 CG GLU A 8 3.433 7.743 27.083 1.00 0.00 C ATOM 124 CD GLU A 8 3.058 7.553 25.612 1.00 0.00 C ATOM 125 OE1 GLU A 8 2.171 8.271 25.182 1.00 0.00 O ATOM 126 OE2 GLU A 8 3.681 6.700 25.001 1.00 0.00 O ATOM 0 H GLU A 8 2.699 5.134 28.083 1.00 0.00 H new ATOM 0 HA GLU A 8 3.381 7.434 29.765 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.438 6.980 27.423 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.729 8.551 28.143 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.867 8.731 27.235 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.189 7.014 27.375 1.00 0.00 H new ATOM 133 N LEU A 9 1.539 7.431 31.379 1.00 0.00 N ATOM 134 CA LEU A 9 0.413 7.482 32.355 1.00 0.00 C ATOM 135 C LEU A 9 0.300 8.870 32.970 1.00 0.00 C ATOM 136 O LEU A 9 1.214 9.662 32.881 1.00 0.00 O ATOM 137 CB LEU A 9 0.695 6.468 33.473 1.00 0.00 C ATOM 138 CG LEU A 9 0.240 5.082 33.019 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.699 4.040 34.041 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.287 5.061 32.928 1.00 0.00 C ATOM 0 H LEU A 9 2.418 7.829 31.709 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.519 7.248 31.840 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.759 6.456 33.709 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.170 6.757 34.383 1.00 0.00 H new ATOM 0 HG LEU A 9 0.671 4.853 32.044 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.376 3.049 33.721 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.786 4.060 34.118 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.262 4.267 35.013 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.619 4.074 32.604 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.713 5.284 33.906 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.619 5.809 32.208 1.00 0.00 H new ATOM 152 N GLU A 10 -0.822 9.140 33.587 1.00 0.00 N ATOM 153 CA GLU A 10 -1.012 10.476 34.217 1.00 0.00 C ATOM 154 C GLU A 10 -0.688 10.426 35.703 1.00 0.00 C ATOM 155 O GLU A 10 -0.925 9.429 36.356 1.00 0.00 O ATOM 156 CB GLU A 10 -2.481 10.890 34.039 1.00 0.00 C ATOM 157 CG GLU A 10 -2.861 10.762 32.559 1.00 0.00 C ATOM 158 CD GLU A 10 -4.336 11.127 32.377 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.889 10.665 31.391 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.826 11.847 33.231 1.00 0.00 O ATOM 0 H GLU A 10 -1.608 8.497 33.680 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.343 11.194 33.742 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.127 10.258 34.649 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.627 11.916 34.378 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.236 11.419 31.954 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.682 9.744 32.213 1.00 0.00 H new ATOM 167 N GLY A 11 -0.152 11.507 36.222 1.00 0.00 N ATOM 168 CA GLY A 11 0.186 11.520 37.668 1.00 0.00 C ATOM 169 C GLY A 11 0.195 12.951 38.178 1.00 0.00 C ATOM 170 O GLY A 11 0.407 13.874 37.417 1.00 0.00 O ATOM 0 H GLY A 11 0.060 12.364 35.711 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.540 10.929 38.226 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.161 11.061 37.828 1.00 0.00 H new ATOM 174 N THR A 12 -0.033 13.113 39.458 1.00 0.00 N ATOM 175 CA THR A 12 -0.042 14.479 40.030 1.00 0.00 C ATOM 176 C THR A 12 1.226 14.733 40.818 1.00 0.00 C ATOM 177 O THR A 12 1.555 13.992 41.723 1.00 0.00 O ATOM 178 CB THR A 12 -1.245 14.605 40.968 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.379 14.542 40.127 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.307 16.006 41.596 1.00 0.00 C ATOM 0 H THR A 12 -0.211 12.359 40.121 1.00 0.00 H new ATOM 0 HA THR A 12 -0.104 15.207 39.221 1.00 0.00 H new ATOM 0 HB THR A 12 -1.190 13.842 41.745 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.192 14.616 40.669 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.170 16.070 42.258 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.397 16.189 42.167 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.398 16.754 40.808 1.00 0.00 H new ATOM 188 N VAL A 13 1.918 15.777 40.468 1.00 0.00 N ATOM 189 CA VAL A 13 3.169 16.080 41.198 1.00 0.00 C ATOM 190 C VAL A 13 2.872 16.331 42.659 1.00 0.00 C ATOM 191 O VAL A 13 2.228 17.299 43.009 1.00 0.00 O ATOM 192 CB VAL A 13 3.810 17.337 40.598 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.254 17.445 41.090 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.814 17.228 39.077 1.00 0.00 C ATOM 0 H VAL A 13 1.674 16.424 39.718 1.00 0.00 H new ATOM 0 HA VAL A 13 3.847 15.231 41.109 1.00 0.00 H new ATOM 0 HB VAL A 13 3.243 18.217 40.903 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.717 18.337 40.667 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.264 17.512 42.178 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.812 16.563 40.776 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.269 18.121 38.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.386 16.350 38.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.790 17.135 38.716 1.00 0.00 H new ATOM 204 N SER A 14 3.352 15.459 43.494 1.00 0.00 N ATOM 205 CA SER A 14 3.103 15.636 44.934 1.00 0.00 C ATOM 206 C SER A 14 4.174 16.505 45.588 1.00 0.00 C ATOM 207 O SER A 14 3.901 17.210 46.540 1.00 0.00 O ATOM 208 CB SER A 14 3.110 14.250 45.595 1.00 0.00 C ATOM 209 OG SER A 14 2.521 13.400 44.622 1.00 0.00 O ATOM 0 H SER A 14 3.902 14.639 43.238 1.00 0.00 H new ATOM 0 HA SER A 14 2.142 16.134 45.065 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.123 13.931 45.842 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.539 14.248 46.524 1.00 0.00 H new ATOM 0 HG SER A 14 3.120 12.646 44.440 1.00 0.00 H new ATOM 215 N GLU A 15 5.374 16.445 45.075 1.00 0.00 N ATOM 216 CA GLU A 15 6.453 17.271 45.676 1.00 0.00 C ATOM 217 C GLU A 15 7.546 17.581 44.664 1.00 0.00 C ATOM 218 O GLU A 15 7.701 16.882 43.681 1.00 0.00 O ATOM 219 CB GLU A 15 7.070 16.483 46.841 1.00 0.00 C ATOM 220 CG GLU A 15 7.376 17.443 47.993 1.00 0.00 C ATOM 221 CD GLU A 15 8.455 18.437 47.552 1.00 0.00 C ATOM 222 OE1 GLU A 15 9.579 17.988 47.408 1.00 0.00 O ATOM 223 OE2 GLU A 15 8.091 19.590 47.385 1.00 0.00 O ATOM 0 H GLU A 15 5.648 15.869 44.279 1.00 0.00 H new ATOM 0 HA GLU A 15 6.024 18.214 46.015 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.383 15.705 47.173 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.983 15.984 46.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.472 17.977 48.286 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.714 16.885 48.866 1.00 0.00 H new ATOM 230 N ALA A 16 8.287 18.633 44.932 1.00 0.00 N ATOM 231 CA ALA A 16 9.385 19.029 44.011 1.00 0.00 C ATOM 232 C ALA A 16 10.706 19.115 44.755 1.00 0.00 C ATOM 233 O ALA A 16 10.820 19.824 45.735 1.00 0.00 O ATOM 234 CB ALA A 16 9.057 20.414 43.431 1.00 0.00 C ATOM 0 H ALA A 16 8.173 19.230 45.751 1.00 0.00 H new ATOM 0 HA ALA A 16 9.473 18.283 43.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.852 20.722 42.752 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.114 20.367 42.887 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.972 21.137 44.242 1.00 0.00 H new ATOM 240 N LEU A 17 11.684 18.382 44.270 1.00 0.00 N ATOM 241 CA LEU A 17 13.019 18.392 44.924 1.00 0.00 C ATOM 242 C LEU A 17 14.086 18.865 43.941 1.00 0.00 C ATOM 243 O LEU A 17 13.878 18.868 42.744 1.00 0.00 O ATOM 244 CB LEU A 17 13.379 16.958 45.395 1.00 0.00 C ATOM 245 CG LEU A 17 12.378 15.943 44.837 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.808 15.540 43.426 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.377 14.704 45.731 1.00 0.00 C ATOM 0 H LEU A 17 11.608 17.780 43.450 1.00 0.00 H new ATOM 0 HA LEU A 17 12.983 19.070 45.777 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.386 16.703 45.066 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.379 16.916 46.484 1.00 0.00 H new ATOM 0 HG LEU A 17 11.381 16.382 44.808 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.099 14.817 43.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.830 16.422 42.786 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.801 15.093 43.462 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.667 13.975 45.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.375 14.266 45.747 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.089 14.986 46.744 1.00 0.00 H new ATOM 259 N PRO A 18 15.218 19.254 44.475 1.00 0.00 N ATOM 260 CA PRO A 18 16.329 19.731 43.655 1.00 0.00 C ATOM 261 C PRO A 18 16.733 18.704 42.614 1.00 0.00 C ATOM 262 O PRO A 18 16.155 17.638 42.531 1.00 0.00 O ATOM 263 CB PRO A 18 17.489 19.950 44.649 1.00 0.00 C ATOM 264 CG PRO A 18 16.948 19.622 46.075 1.00 0.00 C ATOM 265 CD PRO A 18 15.465 19.233 45.920 1.00 0.00 C ATOM 0 HA PRO A 18 16.059 20.635 43.110 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.334 19.307 44.401 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.847 20.979 44.601 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.515 18.806 46.524 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.053 20.484 46.734 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.270 18.246 46.340 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.816 19.936 46.442 1.00 0.00 H new ATOM 273 N ASN A 19 17.715 19.051 41.836 1.00 0.00 N ATOM 274 CA ASN A 19 18.185 18.123 40.789 1.00 0.00 C ATOM 275 C ASN A 19 17.212 18.078 39.621 1.00 0.00 C ATOM 276 O ASN A 19 17.252 17.175 38.814 1.00 0.00 O ATOM 277 CB ASN A 19 18.297 16.716 41.392 1.00 0.00 C ATOM 278 CG ASN A 19 19.551 16.031 40.847 1.00 0.00 C ATOM 279 OD1 ASN A 19 19.649 15.732 39.673 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.532 15.766 41.664 1.00 0.00 N ATOM 0 H ASN A 19 18.211 19.941 41.884 1.00 0.00 H new ATOM 0 HA ASN A 19 19.152 18.470 40.424 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.345 16.777 42.479 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.412 16.130 41.144 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.376 15.310 41.317 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.456 16.015 42.650 1.00 0.00 H new ATOM 287 N ALA A 20 16.359 19.061 39.547 1.00 0.00 N ATOM 288 CA ALA A 20 15.377 19.090 38.438 1.00 0.00 C ATOM 289 C ALA A 20 14.522 17.828 38.439 1.00 0.00 C ATOM 290 O ALA A 20 14.380 17.168 37.425 1.00 0.00 O ATOM 291 CB ALA A 20 16.147 19.167 37.110 1.00 0.00 C ATOM 0 H ALA A 20 16.302 19.839 40.204 1.00 0.00 H new ATOM 0 HA ALA A 20 14.724 19.954 38.562 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.440 19.189 36.280 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.754 20.072 37.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.793 18.294 37.013 1.00 0.00 H new ATOM 297 N MET A 21 13.965 17.517 39.582 1.00 0.00 N ATOM 298 CA MET A 21 13.123 16.322 39.688 1.00 0.00 C ATOM 299 C MET A 21 11.958 16.599 40.612 1.00 0.00 C ATOM 300 O MET A 21 11.900 17.626 41.260 1.00 0.00 O ATOM 301 CB MET A 21 13.957 15.181 40.293 1.00 0.00 C ATOM 302 CG MET A 21 15.028 14.746 39.296 1.00 0.00 C ATOM 303 SD MET A 21 16.347 13.670 39.915 1.00 0.00 S ATOM 304 CE MET A 21 16.731 12.857 38.347 1.00 0.00 C ATOM 0 H MET A 21 14.067 18.053 40.444 1.00 0.00 H new ATOM 0 HA MET A 21 12.755 16.050 38.699 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.423 15.510 41.222 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.312 14.338 40.541 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.533 14.234 38.471 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.490 15.643 38.883 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.559 12.162 38.490 1.00 0.00 H new ATOM 0 HE2 MET A 21 15.855 12.311 37.996 1.00 0.00 H new ATOM 0 HE3 MET A 21 17.011 13.607 37.607 1.00 0.00 H new ATOM 314 N PHE A 22 11.055 15.686 40.658 1.00 0.00 N ATOM 315 CA PHE A 22 9.879 15.871 41.533 1.00 0.00 C ATOM 316 C PHE A 22 9.189 14.545 41.828 1.00 0.00 C ATOM 317 O PHE A 22 9.458 13.542 41.197 1.00 0.00 O ATOM 318 CB PHE A 22 8.870 16.804 40.832 1.00 0.00 C ATOM 319 CG PHE A 22 9.083 16.788 39.316 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.476 15.635 38.658 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.856 17.935 38.578 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.635 15.634 37.292 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.016 17.928 37.213 1.00 0.00 C ATOM 324 CZ PHE A 22 9.404 16.780 36.573 1.00 0.00 C ATOM 0 H PHE A 22 11.075 14.815 40.128 1.00 0.00 H new ATOM 0 HA PHE A 22 10.222 16.302 42.474 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.853 16.489 41.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.983 17.820 41.210 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.659 14.731 39.221 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.551 18.843 39.078 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.942 14.731 36.785 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.836 18.828 36.644 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.528 16.777 35.500 1.00 0.00 H new ATOM 334 N LYS A 23 8.322 14.570 42.802 1.00 0.00 N ATOM 335 CA LYS A 23 7.591 13.336 43.172 1.00 0.00 C ATOM 336 C LYS A 23 6.202 13.374 42.559 1.00 0.00 C ATOM 337 O LYS A 23 5.599 14.426 42.475 1.00 0.00 O ATOM 338 CB LYS A 23 7.458 13.291 44.709 1.00 0.00 C ATOM 339 CG LYS A 23 7.277 11.837 45.166 1.00 0.00 C ATOM 340 CD LYS A 23 7.247 11.788 46.702 1.00 0.00 C ATOM 341 CE LYS A 23 6.986 10.346 47.158 1.00 0.00 C ATOM 342 NZ LYS A 23 8.269 9.650 47.458 1.00 0.00 N ATOM 0 H LYS A 23 8.091 15.395 43.356 1.00 0.00 H new ATOM 0 HA LYS A 23 8.128 12.459 42.810 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.345 13.722 45.174 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.607 13.892 45.029 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.352 11.428 44.759 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.092 11.220 44.787 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.194 12.144 47.107 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.469 12.449 47.083 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.352 10.348 48.044 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.446 9.805 46.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.072 8.676 47.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.862 9.631 46.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.770 10.157 48.215 1.00 0.00 H new ATOM 356 N VAL A 24 5.722 12.234 42.136 1.00 0.00 N ATOM 357 CA VAL A 24 4.367 12.194 41.522 1.00 0.00 C ATOM 358 C VAL A 24 3.536 11.068 42.096 1.00 0.00 C ATOM 359 O VAL A 24 4.019 9.968 42.280 1.00 0.00 O ATOM 360 CB VAL A 24 4.533 11.971 40.020 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.207 11.496 39.428 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.931 13.290 39.361 1.00 0.00 C ATOM 0 H VAL A 24 6.206 11.338 42.189 1.00 0.00 H new ATOM 0 HA VAL A 24 3.856 13.134 41.730 1.00 0.00 H new ATOM 0 HB VAL A 24 5.303 11.220 39.843 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.324 11.336 38.356 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.910 10.561 39.904 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.440 12.251 39.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.051 13.139 38.288 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.154 14.034 39.538 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.872 13.640 39.786 1.00 0.00 H new ATOM 372 N LYS A 25 2.289 11.371 42.364 1.00 0.00 N ATOM 373 CA LYS A 25 1.380 10.337 42.933 1.00 0.00 C ATOM 374 C LYS A 25 0.302 9.932 41.932 1.00 0.00 C ATOM 375 O LYS A 25 -0.398 10.766 41.389 1.00 0.00 O ATOM 376 CB LYS A 25 0.704 10.926 44.179 1.00 0.00 C ATOM 377 CG LYS A 25 -0.325 11.967 43.750 1.00 0.00 C ATOM 378 CD LYS A 25 -0.589 12.928 44.915 1.00 0.00 C ATOM 379 CE LYS A 25 -1.494 12.240 45.943 1.00 0.00 C ATOM 380 NZ LYS A 25 -2.888 12.135 45.426 1.00 0.00 N ATOM 0 H LYS A 25 1.866 12.287 42.213 1.00 0.00 H new ATOM 0 HA LYS A 25 1.965 9.451 43.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.221 10.135 44.753 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.450 11.382 44.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.039 12.519 42.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.252 11.477 43.450 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.352 13.221 45.380 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.062 13.840 44.550 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.108 11.246 46.168 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.488 12.803 46.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.543 11.991 46.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.139 13.011 44.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.956 11.330 44.772 1.00 0.00 H new ATOM 394 N LEU A 26 0.196 8.652 41.700 1.00 0.00 N ATOM 395 CA LEU A 26 -0.812 8.158 40.754 1.00 0.00 C ATOM 396 C LEU A 26 -2.142 7.921 41.456 1.00 0.00 C ATOM 397 O LEU A 26 -2.186 7.660 42.641 1.00 0.00 O ATOM 398 CB LEU A 26 -0.306 6.832 40.186 1.00 0.00 C ATOM 399 CG LEU A 26 1.077 7.058 39.575 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.155 6.822 40.634 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.284 6.078 38.424 1.00 0.00 C ATOM 0 H LEU A 26 0.774 7.932 42.134 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.967 8.895 39.966 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.253 6.079 40.973 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.996 6.456 39.431 1.00 0.00 H new ATOM 0 HG LEU A 26 1.147 8.082 39.209 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.139 6.984 40.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.009 7.515 41.462 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.086 5.798 41.001 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.269 6.235 37.985 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.212 5.057 38.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.518 6.241 37.665 1.00 0.00 H new ATOM 413 N GLU A 27 -3.205 8.014 40.711 1.00 0.00 N ATOM 414 CA GLU A 27 -4.540 7.797 41.319 1.00 0.00 C ATOM 415 C GLU A 27 -4.623 6.418 41.963 1.00 0.00 C ATOM 416 O GLU A 27 -5.489 6.161 42.774 1.00 0.00 O ATOM 417 CB GLU A 27 -5.608 7.893 40.216 1.00 0.00 C ATOM 418 CG GLU A 27 -5.029 8.653 39.018 1.00 0.00 C ATOM 419 CD GLU A 27 -4.158 7.711 38.181 1.00 0.00 C ATOM 420 OE1 GLU A 27 -3.364 8.240 37.421 1.00 0.00 O ATOM 421 OE2 GLU A 27 -4.338 6.514 38.345 1.00 0.00 O ATOM 0 H GLU A 27 -3.206 8.230 39.714 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.705 8.554 42.086 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.923 6.895 39.911 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.493 8.405 40.594 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.836 9.057 38.407 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.437 9.500 39.364 1.00 0.00 H new ATOM 428 N ASN A 28 -3.718 5.556 41.589 1.00 0.00 N ATOM 429 CA ASN A 28 -3.733 4.195 42.170 1.00 0.00 C ATOM 430 C ASN A 28 -3.344 4.234 43.644 1.00 0.00 C ATOM 431 O ASN A 28 -3.545 3.278 44.368 1.00 0.00 O ATOM 432 CB ASN A 28 -2.715 3.330 41.410 1.00 0.00 C ATOM 433 CG ASN A 28 -2.976 3.438 39.908 1.00 0.00 C ATOM 434 OD1 ASN A 28 -4.070 3.743 39.475 1.00 0.00 O ATOM 435 ND2 ASN A 28 -1.999 3.190 39.078 1.00 0.00 N ATOM 0 H ASN A 28 -2.977 5.738 40.912 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.738 3.781 42.084 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.701 3.658 41.638 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.794 2.291 41.730 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.156 3.253 38.072 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.079 2.934 39.436 1.00 0.00 H new ATOM 442 N GLY A 29 -2.788 5.345 44.059 1.00 0.00 N ATOM 443 CA GLY A 29 -2.373 5.478 45.487 1.00 0.00 C ATOM 444 C GLY A 29 -0.855 5.330 45.625 1.00 0.00 C ATOM 445 O GLY A 29 -0.296 5.613 46.667 1.00 0.00 O ATOM 0 H GLY A 29 -2.605 6.160 43.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.685 6.448 45.873 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.874 4.719 46.089 1.00 0.00 H new ATOM 449 N HIS A 30 -0.216 4.889 44.573 1.00 0.00 N ATOM 450 CA HIS A 30 1.256 4.722 44.641 1.00 0.00 C ATOM 451 C HIS A 30 1.969 6.011 44.264 1.00 0.00 C ATOM 452 O HIS A 30 1.342 6.980 43.883 1.00 0.00 O ATOM 453 CB HIS A 30 1.661 3.625 43.650 1.00 0.00 C ATOM 454 CG HIS A 30 0.698 2.454 43.797 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.241 2.202 43.019 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.633 1.488 44.780 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.896 1.186 43.396 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.410 0.657 44.519 1.00 0.00 N ATOM 0 H HIS A 30 -0.648 4.641 43.683 1.00 0.00 H new ATOM 0 HA HIS A 30 1.537 4.457 45.660 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.636 4.009 42.630 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.683 3.300 43.843 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.304 1.405 45.622 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.752 0.792 42.867 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.735 -0.156 45.043 1.00 0.00 H new ATOM 466 N GLU A 31 3.271 5.994 44.382 1.00 0.00 N ATOM 467 CA GLU A 31 4.061 7.197 44.041 1.00 0.00 C ATOM 468 C GLU A 31 5.306 6.807 43.258 1.00 0.00 C ATOM 469 O GLU A 31 5.845 5.734 43.448 1.00 0.00 O ATOM 470 CB GLU A 31 4.486 7.887 45.348 1.00 0.00 C ATOM 471 CG GLU A 31 5.494 7.000 46.081 1.00 0.00 C ATOM 472 CD GLU A 31 4.870 5.627 46.332 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.105 5.545 47.278 1.00 0.00 O ATOM 474 OE2 GLU A 31 5.193 4.736 45.564 1.00 0.00 O ATOM 0 H GLU A 31 3.816 5.193 44.701 1.00 0.00 H new ATOM 0 HA GLU A 31 3.456 7.867 43.430 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.929 8.859 45.132 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.615 8.066 45.979 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.403 6.896 45.488 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.781 7.460 47.027 1.00 0.00 H new ATOM 481 N ILE A 32 5.742 7.684 42.393 1.00 0.00 N ATOM 482 CA ILE A 32 6.952 7.376 41.591 1.00 0.00 C ATOM 483 C ILE A 32 7.804 8.615 41.385 1.00 0.00 C ATOM 484 O ILE A 32 7.308 9.723 41.415 1.00 0.00 O ATOM 485 CB ILE A 32 6.508 6.866 40.238 1.00 0.00 C ATOM 486 CG1 ILE A 32 6.004 5.435 40.361 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.711 6.885 39.278 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.308 5.036 39.059 1.00 0.00 C ATOM 0 H ILE A 32 5.314 8.592 42.211 1.00 0.00 H new ATOM 0 HA ILE A 32 7.545 6.632 42.122 1.00 0.00 H new ATOM 0 HB ILE A 32 5.707 7.502 39.860 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.835 4.760 40.565 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.312 5.351 41.199 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.401 6.519 38.299 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.084 7.905 39.183 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.501 6.245 39.671 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.944 4.012 39.140 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.468 5.706 38.875 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.015 5.106 38.232 1.00 0.00 H new ATOM 500 N LEU A 33 9.075 8.408 41.182 1.00 0.00 N ATOM 501 CA LEU A 33 9.964 9.558 40.973 1.00 0.00 C ATOM 502 C LEU A 33 9.957 9.932 39.513 1.00 0.00 C ATOM 503 O LEU A 33 9.817 9.074 38.663 1.00 0.00 O ATOM 504 CB LEU A 33 11.387 9.162 41.380 1.00 0.00 C ATOM 505 CG LEU A 33 11.382 8.734 42.844 1.00 0.00 C ATOM 506 CD1 LEU A 33 12.520 7.740 43.076 1.00 0.00 C ATOM 507 CD2 LEU A 33 11.596 9.967 43.723 1.00 0.00 C ATOM 0 H LEU A 33 9.525 7.493 41.154 1.00 0.00 H new ATOM 0 HA LEU A 33 9.624 10.404 41.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.746 8.348 40.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.068 10.001 41.235 1.00 0.00 H new ATOM 0 HG LEU A 33 10.430 8.266 43.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.524 7.429 44.121 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.377 6.868 42.438 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.472 8.214 42.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.594 9.671 44.772 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.553 10.427 43.478 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.794 10.683 43.547 1.00 0.00 H new ATOM 519 N CYS A 34 10.106 11.198 39.232 1.00 0.00 N ATOM 520 CA CYS A 34 10.106 11.619 37.815 1.00 0.00 C ATOM 521 C CYS A 34 11.158 12.680 37.553 1.00 0.00 C ATOM 522 O CYS A 34 11.465 13.480 38.413 1.00 0.00 O ATOM 523 CB CYS A 34 8.719 12.187 37.492 1.00 0.00 C ATOM 524 SG CYS A 34 7.840 13.041 38.824 1.00 0.00 S ATOM 0 H CYS A 34 10.226 11.945 39.916 1.00 0.00 H new ATOM 0 HA CYS A 34 10.337 10.760 37.185 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.825 12.881 36.658 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.091 11.366 37.145 1.00 0.00 H new ATOM 0 HG CYS A 34 8.082 14.316 38.756 1.00 0.00 H new ATOM 530 N HIS A 35 11.699 12.654 36.358 1.00 0.00 N ATOM 531 CA HIS A 35 12.744 13.646 35.987 1.00 0.00 C ATOM 532 C HIS A 35 12.278 14.487 34.810 1.00 0.00 C ATOM 533 O HIS A 35 11.441 14.064 34.038 1.00 0.00 O ATOM 534 CB HIS A 35 14.010 12.874 35.576 1.00 0.00 C ATOM 535 CG HIS A 35 15.068 13.853 35.069 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.687 14.899 35.723 1.00 0.00 N flip ATOM 537 CD2 HIS A 35 15.559 13.841 33.921 1.00 0.00 C flip ATOM 538 CE1 HIS A 35 16.572 15.492 34.878 1.00 0.00 C flip ATOM 539 NE2 HIS A 35 16.420 14.759 33.773 1.00 0.00 N flip ATOM 0 H HIS A 35 11.458 11.986 35.626 1.00 0.00 H new ATOM 0 HA HIS A 35 12.943 14.303 36.833 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.398 12.313 36.426 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.769 12.149 34.799 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.284 13.136 33.150 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.225 16.334 35.054 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.937 14.919 32.909 1.00 0.00 H new ATOM 547 N ILE A 36 12.822 15.664 34.690 1.00 0.00 N ATOM 548 CA ILE A 36 12.411 16.530 33.569 1.00 0.00 C ATOM 549 C ILE A 36 13.178 16.201 32.305 1.00 0.00 C ATOM 550 O ILE A 36 14.337 15.838 32.351 1.00 0.00 O ATOM 551 CB ILE A 36 12.673 17.974 33.958 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.661 18.378 35.004 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.488 18.865 32.718 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.185 19.581 35.791 1.00 0.00 C ATOM 0 H ILE A 36 13.526 16.055 35.316 1.00 0.00 H new ATOM 0 HA ILE A 36 11.352 16.368 33.368 1.00 0.00 H new ATOM 0 HB ILE A 36 13.685 18.084 34.347 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.712 18.627 34.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.470 17.544 35.680 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.674 19.905 32.986 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.190 18.559 31.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.469 18.763 32.345 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.452 19.870 36.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.123 19.316 36.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.354 20.416 35.110 1.00 0.00 H new ATOM 566 N SER A 37 12.512 16.340 31.192 1.00 0.00 N ATOM 567 CA SER A 37 13.169 16.043 29.899 1.00 0.00 C ATOM 568 C SER A 37 13.705 17.315 29.253 1.00 0.00 C ATOM 569 O SER A 37 13.411 18.408 29.692 1.00 0.00 O ATOM 570 CB SER A 37 12.133 15.404 28.962 1.00 0.00 C ATOM 571 OG SER A 37 11.687 14.258 29.675 1.00 0.00 O ATOM 0 H SER A 37 11.541 16.647 31.127 1.00 0.00 H new ATOM 0 HA SER A 37 14.006 15.367 30.074 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.311 16.088 28.750 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.576 15.131 28.004 1.00 0.00 H new ATOM 0 HG SER A 37 11.697 13.479 29.081 1.00 0.00 H new ATOM 577 N GLY A 38 14.483 17.145 28.219 1.00 0.00 N ATOM 578 CA GLY A 38 15.054 18.336 27.525 1.00 0.00 C ATOM 579 C GLY A 38 14.033 18.968 26.569 1.00 0.00 C ATOM 580 O GLY A 38 14.218 20.081 26.117 1.00 0.00 O ATOM 0 H GLY A 38 14.747 16.241 27.827 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.369 19.073 28.263 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.944 18.043 26.968 1.00 0.00 H new ATOM 584 N LYS A 39 12.975 18.255 26.282 1.00 0.00 N ATOM 585 CA LYS A 39 11.959 18.819 25.361 1.00 0.00 C ATOM 586 C LYS A 39 11.110 19.873 26.045 1.00 0.00 C ATOM 587 O LYS A 39 11.117 21.029 25.656 1.00 0.00 O ATOM 588 CB LYS A 39 11.044 17.680 24.884 1.00 0.00 C ATOM 589 CG LYS A 39 11.765 16.870 23.804 1.00 0.00 C ATOM 590 CD LYS A 39 10.722 16.151 22.942 1.00 0.00 C ATOM 591 CE LYS A 39 9.770 15.374 23.853 1.00 0.00 C ATOM 592 NZ LYS A 39 8.960 14.405 23.060 1.00 0.00 N ATOM 0 H LYS A 39 12.777 17.321 26.642 1.00 0.00 H new ATOM 0 HA LYS A 39 12.476 19.288 24.524 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.779 17.035 25.722 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.113 18.087 24.489 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.377 17.527 23.186 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.438 16.146 24.263 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.165 16.873 22.345 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.213 15.472 22.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.340 14.842 24.615 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.110 16.067 24.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.320 13.887 23.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.402 14.919 22.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.593 13.732 22.582 1.00 0.00 H new ATOM 606 N LEU A 40 10.392 19.475 27.046 1.00 0.00 N ATOM 607 CA LEU A 40 9.551 20.457 27.743 1.00 0.00 C ATOM 608 C LEU A 40 10.424 21.575 28.262 1.00 0.00 C ATOM 609 O LEU A 40 9.956 22.658 28.550 1.00 0.00 O ATOM 610 CB LEU A 40 8.808 19.748 28.902 1.00 0.00 C ATOM 611 CG LEU A 40 9.602 19.878 30.205 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.109 21.109 30.973 1.00 0.00 C ATOM 613 CD2 LEU A 40 9.365 18.631 31.058 1.00 0.00 C ATOM 0 H LEU A 40 10.354 18.521 27.406 1.00 0.00 H new ATOM 0 HA LEU A 40 8.813 20.882 27.063 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.817 20.184 29.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.664 18.695 28.660 1.00 0.00 H new ATOM 0 HG LEU A 40 10.664 19.981 29.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.671 21.207 31.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.256 22.001 30.364 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.049 20.996 31.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.927 18.714 31.988 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.302 18.540 31.283 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.697 17.748 30.512 1.00 0.00 H new ATOM 625 N ARG A 41 11.693 21.286 28.368 1.00 0.00 N ATOM 626 CA ARG A 41 12.623 22.309 28.862 1.00 0.00 C ATOM 627 C ARG A 41 12.777 23.385 27.810 1.00 0.00 C ATOM 628 O ARG A 41 12.783 24.562 28.112 1.00 0.00 O ATOM 629 CB ARG A 41 13.986 21.651 29.121 1.00 0.00 C ATOM 630 CG ARG A 41 14.380 21.876 30.581 1.00 0.00 C ATOM 631 CD ARG A 41 15.701 21.162 30.859 1.00 0.00 C ATOM 632 NE ARG A 41 16.534 22.018 31.748 1.00 0.00 N ATOM 633 CZ ARG A 41 17.833 21.961 31.655 1.00 0.00 C ATOM 634 NH1 ARG A 41 18.540 21.851 32.746 1.00 0.00 N ATOM 635 NH2 ARG A 41 18.383 22.018 30.473 1.00 0.00 N ATOM 0 H ARG A 41 12.113 20.387 28.132 1.00 0.00 H new ATOM 0 HA ARG A 41 12.243 22.751 29.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.936 20.584 28.905 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.740 22.075 28.458 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.479 22.942 30.783 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.601 21.497 31.243 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.516 20.197 31.330 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.227 20.965 29.925 1.00 0.00 H new ATOM 0 HE ARG A 41 16.093 22.643 32.423 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.075 21.811 33.653 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.558 21.805 32.692 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.798 22.106 29.642 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.398 21.975 30.380 1.00 0.00 H new ATOM 649 N MET A 42 12.901 22.958 26.581 1.00 0.00 N ATOM 650 CA MET A 42 13.053 23.936 25.493 1.00 0.00 C ATOM 651 C MET A 42 11.837 24.840 25.445 1.00 0.00 C ATOM 652 O MET A 42 11.940 26.007 25.118 1.00 0.00 O ATOM 653 CB MET A 42 13.167 23.178 24.162 1.00 0.00 C ATOM 654 CG MET A 42 13.885 24.065 23.140 1.00 0.00 C ATOM 655 SD MET A 42 13.094 25.632 22.696 1.00 0.00 S ATOM 656 CE MET A 42 11.961 24.972 21.450 1.00 0.00 C ATOM 0 H MET A 42 12.902 21.979 26.296 1.00 0.00 H new ATOM 0 HA MET A 42 13.945 24.539 25.663 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.717 22.248 24.305 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.176 22.909 23.796 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.880 24.287 23.527 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.020 23.485 22.227 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.363 25.784 21.036 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.533 24.499 20.652 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.303 24.235 21.910 1.00 0.00 H new ATOM 666 N ASN A 43 10.692 24.288 25.773 1.00 0.00 N ATOM 667 CA ASN A 43 9.469 25.118 25.748 1.00 0.00 C ATOM 668 C ASN A 43 9.572 26.229 26.798 1.00 0.00 C ATOM 669 O ASN A 43 8.849 27.204 26.750 1.00 0.00 O ATOM 670 CB ASN A 43 8.265 24.220 26.072 1.00 0.00 C ATOM 671 CG ASN A 43 7.954 23.325 24.867 1.00 0.00 C ATOM 672 OD1 ASN A 43 8.691 23.284 23.904 1.00 0.00 O ATOM 673 ND2 ASN A 43 6.870 22.594 24.885 1.00 0.00 N ATOM 0 H ASN A 43 10.562 23.315 26.051 1.00 0.00 H new ATOM 0 HA ASN A 43 9.349 25.571 24.764 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.480 23.607 26.947 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.397 24.832 26.317 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.647 21.993 24.092 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.247 22.625 25.692 1.00 0.00 H new ATOM 680 N PHE A 44 10.479 26.045 27.731 1.00 0.00 N ATOM 681 CA PHE A 44 10.671 27.065 28.807 1.00 0.00 C ATOM 682 C PHE A 44 9.460 27.143 29.752 1.00 0.00 C ATOM 683 O PHE A 44 8.693 28.086 29.705 1.00 0.00 O ATOM 684 CB PHE A 44 10.894 28.438 28.139 1.00 0.00 C ATOM 685 CG PHE A 44 11.726 29.325 29.072 1.00 0.00 C ATOM 686 CD1 PHE A 44 13.065 29.047 29.297 1.00 0.00 C ATOM 687 CD2 PHE A 44 11.152 30.415 29.705 1.00 0.00 C ATOM 688 CE1 PHE A 44 13.812 29.844 30.141 1.00 0.00 C ATOM 689 CE2 PHE A 44 11.904 31.210 30.547 1.00 0.00 C ATOM 690 CZ PHE A 44 13.231 30.924 30.763 1.00 0.00 C ATOM 0 H PHE A 44 11.093 25.232 27.791 1.00 0.00 H new ATOM 0 HA PHE A 44 11.533 26.776 29.409 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.406 28.312 27.185 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.936 28.912 27.926 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.527 28.202 28.809 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.110 30.645 29.539 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.854 29.619 30.313 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.449 32.058 31.037 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.817 31.548 31.421 1.00 0.00 H new ATOM 700 N ILE A 45 9.323 26.140 30.599 1.00 0.00 N ATOM 701 CA ILE A 45 8.190 26.119 31.553 1.00 0.00 C ATOM 702 C ILE A 45 8.669 26.149 33.002 1.00 0.00 C ATOM 703 O ILE A 45 9.830 25.936 33.288 1.00 0.00 O ATOM 704 CB ILE A 45 7.422 24.820 31.336 1.00 0.00 C ATOM 705 CG1 ILE A 45 6.529 24.957 30.119 1.00 0.00 C ATOM 706 CG2 ILE A 45 6.526 24.559 32.560 1.00 0.00 C ATOM 707 CD1 ILE A 45 7.337 24.725 28.845 1.00 0.00 C ATOM 0 H ILE A 45 9.955 25.341 30.660 1.00 0.00 H new ATOM 0 HA ILE A 45 7.571 26.999 31.378 1.00 0.00 H new ATOM 0 HB ILE A 45 8.128 24.002 31.194 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.711 24.238 30.176 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.080 25.950 30.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.972 23.632 32.414 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.145 24.475 33.453 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.825 25.385 32.681 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.685 24.826 27.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.139 25.461 28.784 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.765 23.723 28.863 1.00 0.00 H new ATOM 719 N ARG A 46 7.747 26.422 33.886 1.00 0.00 N ATOM 720 CA ARG A 46 8.083 26.478 35.323 1.00 0.00 C ATOM 721 C ARG A 46 6.903 25.947 36.132 1.00 0.00 C ATOM 722 O ARG A 46 6.177 26.697 36.754 1.00 0.00 O ATOM 723 CB ARG A 46 8.352 27.944 35.714 1.00 0.00 C ATOM 724 CG ARG A 46 9.120 27.978 37.040 1.00 0.00 C ATOM 725 CD ARG A 46 9.552 29.417 37.333 1.00 0.00 C ATOM 726 NE ARG A 46 10.407 29.427 38.556 1.00 0.00 N ATOM 727 CZ ARG A 46 11.468 30.191 38.593 1.00 0.00 C ATOM 728 NH1 ARG A 46 12.603 29.676 38.982 1.00 0.00 N ATOM 729 NH2 ARG A 46 11.357 31.443 38.246 1.00 0.00 N ATOM 0 H ARG A 46 6.769 26.609 33.664 1.00 0.00 H new ATOM 0 HA ARG A 46 8.967 25.873 35.525 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.928 28.442 34.933 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.411 28.486 35.811 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.492 27.602 37.848 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.993 27.327 36.986 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.102 29.825 36.485 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.677 30.050 37.480 1.00 0.00 H new ATOM 0 HE ARG A 46 10.166 28.843 39.357 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.652 28.693 39.251 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.441 30.256 39.017 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.453 31.812 37.952 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.174 32.053 38.269 1.00 0.00 H new ATOM 743 N ILE A 47 6.738 24.651 36.105 1.00 0.00 N ATOM 744 CA ILE A 47 5.617 24.028 36.855 1.00 0.00 C ATOM 745 C ILE A 47 5.903 23.944 38.349 1.00 0.00 C ATOM 746 O ILE A 47 7.039 23.820 38.764 1.00 0.00 O ATOM 747 CB ILE A 47 5.421 22.610 36.319 1.00 0.00 C ATOM 748 CG1 ILE A 47 4.059 22.085 36.744 1.00 0.00 C ATOM 749 CG2 ILE A 47 6.509 21.705 36.924 1.00 0.00 C ATOM 750 CD1 ILE A 47 3.989 20.583 36.457 1.00 0.00 C ATOM 0 H ILE A 47 7.334 23.999 35.594 1.00 0.00 H new ATOM 0 HA ILE A 47 4.728 24.643 36.718 1.00 0.00 H new ATOM 0 HB ILE A 47 5.486 22.616 35.231 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.898 22.273 37.806 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.269 22.608 36.205 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.385 20.688 36.552 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.493 22.078 36.638 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.421 21.707 38.010 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.014 20.200 36.760 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.132 20.409 35.390 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.771 20.069 37.016 1.00 0.00 H new ATOM 762 N LEU A 48 4.845 24.014 39.129 1.00 0.00 N ATOM 763 CA LEU A 48 4.991 23.942 40.608 1.00 0.00 C ATOM 764 C LEU A 48 4.206 22.751 41.155 1.00 0.00 C ATOM 765 O LEU A 48 3.111 22.475 40.707 1.00 0.00 O ATOM 766 CB LEU A 48 4.417 25.232 41.216 1.00 0.00 C ATOM 767 CG LEU A 48 5.024 26.440 40.497 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.123 27.658 40.713 1.00 0.00 C ATOM 769 CD2 LEU A 48 6.409 26.727 41.078 1.00 0.00 C ATOM 0 H LEU A 48 3.887 24.118 38.796 1.00 0.00 H new ATOM 0 HA LEU A 48 6.044 23.827 40.865 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.331 25.243 41.118 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.641 25.277 42.282 1.00 0.00 H new ATOM 0 HG LEU A 48 5.109 26.230 39.431 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.550 28.522 40.203 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.131 27.453 40.310 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.045 27.868 41.780 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.846 27.586 40.569 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.319 26.942 42.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.050 25.857 40.936 1.00 0.00 H new ATOM 781 N GLU A 49 4.786 22.065 42.111 1.00 0.00 N ATOM 782 CA GLU A 49 4.097 20.892 42.702 1.00 0.00 C ATOM 783 C GLU A 49 2.598 21.124 42.848 1.00 0.00 C ATOM 784 O GLU A 49 2.156 22.235 43.062 1.00 0.00 O ATOM 785 CB GLU A 49 4.696 20.629 44.095 1.00 0.00 C ATOM 786 CG GLU A 49 4.697 21.934 44.898 1.00 0.00 C ATOM 787 CD GLU A 49 6.110 22.520 44.907 1.00 0.00 C ATOM 788 OE1 GLU A 49 6.767 22.332 45.917 1.00 0.00 O ATOM 789 OE2 GLU A 49 6.451 23.124 43.904 1.00 0.00 O ATOM 0 H GLU A 49 5.705 22.272 42.502 1.00 0.00 H new ATOM 0 HA GLU A 49 4.240 20.040 42.037 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.115 19.868 44.616 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.712 20.245 44.001 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.998 22.646 44.458 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.362 21.747 45.918 1.00 0.00 H new ATOM 796 N GLY A 50 1.843 20.062 42.723 1.00 0.00 N ATOM 797 CA GLY A 50 0.365 20.188 42.849 1.00 0.00 C ATOM 798 C GLY A 50 -0.275 20.242 41.463 1.00 0.00 C ATOM 799 O GLY A 50 -1.484 20.260 41.335 1.00 0.00 O ATOM 0 H GLY A 50 2.187 19.119 42.540 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.034 19.343 43.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.115 21.089 43.409 1.00 0.00 H new ATOM 803 N ASP A 51 0.556 20.265 40.451 1.00 0.00 N ATOM 804 CA ASP A 51 0.029 20.318 39.068 1.00 0.00 C ATOM 805 C ASP A 51 0.009 18.931 38.435 1.00 0.00 C ATOM 806 O ASP A 51 0.929 18.155 38.609 1.00 0.00 O ATOM 807 CB ASP A 51 0.951 21.222 38.237 1.00 0.00 C ATOM 808 CG ASP A 51 0.529 22.681 38.422 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.111 22.988 39.526 1.00 0.00 O ATOM 810 OD2 ASP A 51 0.650 23.407 37.448 1.00 0.00 O ATOM 0 H ASP A 51 1.573 20.249 40.530 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.990 20.704 39.092 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.987 21.089 38.548 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.897 20.946 37.184 1.00 0.00 H new ATOM 815 N LYS A 52 -1.039 18.641 37.708 1.00 0.00 N ATOM 816 CA LYS A 52 -1.130 17.326 37.066 1.00 0.00 C ATOM 817 C LYS A 52 -0.230 17.254 35.876 1.00 0.00 C ATOM 818 O LYS A 52 -0.061 18.220 35.159 1.00 0.00 O ATOM 819 CB LYS A 52 -2.579 17.085 36.623 1.00 0.00 C ATOM 820 CG LYS A 52 -3.485 17.079 37.854 1.00 0.00 C ATOM 821 CD LYS A 52 -4.926 16.844 37.408 1.00 0.00 C ATOM 822 CE LYS A 52 -5.874 17.506 38.407 1.00 0.00 C ATOM 823 NZ LYS A 52 -7.270 17.040 38.187 1.00 0.00 N ATOM 0 H LYS A 52 -1.827 19.266 37.540 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.821 16.563 37.780 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.894 17.864 35.928 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.657 16.135 36.094 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.173 16.298 38.547 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.405 18.027 38.385 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.083 17.256 36.411 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.131 15.775 37.347 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.562 17.271 39.425 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.825 18.590 38.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.902 17.499 38.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.570 17.286 37.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.315 16.008 38.311 1.00 0.00 H new ATOM 837 N VAL A 53 0.336 16.104 35.673 1.00 0.00 N ATOM 838 CA VAL A 53 1.238 15.950 34.529 1.00 0.00 C ATOM 839 C VAL A 53 1.230 14.535 33.998 1.00 0.00 C ATOM 840 O VAL A 53 0.723 13.633 34.637 1.00 0.00 O ATOM 841 CB VAL A 53 2.644 16.248 35.034 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.665 17.609 35.717 1.00 0.00 C ATOM 843 CG2 VAL A 53 3.049 15.177 36.050 1.00 0.00 C ATOM 0 H VAL A 53 0.209 15.273 36.251 1.00 0.00 H new ATOM 0 HA VAL A 53 0.920 16.618 33.729 1.00 0.00 H new ATOM 0 HB VAL A 53 3.338 16.250 34.193 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.672 17.820 36.077 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.366 18.378 35.005 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.972 17.605 36.558 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.055 15.384 36.416 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.350 15.186 36.886 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.031 14.197 35.573 1.00 0.00 H new ATOM 853 N ASN A 54 1.798 14.359 32.832 1.00 0.00 N ATOM 854 CA ASN A 54 1.836 13.008 32.250 1.00 0.00 C ATOM 855 C ASN A 54 3.148 12.364 32.646 1.00 0.00 C ATOM 856 O ASN A 54 4.201 12.935 32.438 1.00 0.00 O ATOM 857 CB ASN A 54 1.740 13.114 30.724 1.00 0.00 C ATOM 858 CG ASN A 54 0.391 12.555 30.266 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.318 11.525 29.624 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.699 13.203 30.574 1.00 0.00 N ATOM 0 H ASN A 54 2.230 15.093 32.271 1.00 0.00 H new ATOM 0 HA ASN A 54 1.003 12.406 32.613 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.841 14.154 30.412 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.554 12.560 30.257 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.607 12.845 30.276 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.643 14.068 31.112 1.00 0.00 H new ATOM 867 N VAL A 55 3.067 11.191 33.204 1.00 0.00 N ATOM 868 CA VAL A 55 4.300 10.496 33.626 1.00 0.00 C ATOM 869 C VAL A 55 4.684 9.370 32.680 1.00 0.00 C ATOM 870 O VAL A 55 3.876 8.526 32.348 1.00 0.00 O ATOM 871 CB VAL A 55 4.032 9.892 35.010 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.359 9.567 35.693 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.267 10.906 35.857 1.00 0.00 C ATOM 0 H VAL A 55 2.198 10.688 33.384 1.00 0.00 H new ATOM 0 HA VAL A 55 5.119 11.215 33.632 1.00 0.00 H new ATOM 0 HB VAL A 55 3.446 8.979 34.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.167 9.138 36.676 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.914 8.851 35.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.944 10.480 35.804 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.073 10.484 36.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.861 11.814 35.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.321 11.145 35.372 1.00 0.00 H new ATOM 883 N GLU A 56 5.924 9.391 32.269 1.00 0.00 N ATOM 884 CA GLU A 56 6.425 8.345 31.345 1.00 0.00 C ATOM 885 C GLU A 56 7.327 7.384 32.111 1.00 0.00 C ATOM 886 O GLU A 56 8.410 7.748 32.521 1.00 0.00 O ATOM 887 CB GLU A 56 7.241 9.042 30.235 1.00 0.00 C ATOM 888 CG GLU A 56 8.085 8.011 29.476 1.00 0.00 C ATOM 889 CD GLU A 56 8.912 8.728 28.406 1.00 0.00 C ATOM 890 OE1 GLU A 56 9.105 8.118 27.369 1.00 0.00 O ATOM 891 OE2 GLU A 56 9.306 9.849 28.687 1.00 0.00 O ATOM 0 H GLU A 56 6.612 10.094 32.538 1.00 0.00 H new ATOM 0 HA GLU A 56 5.595 7.786 30.913 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.569 9.553 29.545 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.888 9.803 30.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.742 7.482 30.166 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.440 7.264 29.014 1.00 0.00 H new ATOM 898 N LEU A 57 6.863 6.175 32.298 1.00 0.00 N ATOM 899 CA LEU A 57 7.688 5.183 33.040 1.00 0.00 C ATOM 900 C LEU A 57 8.622 4.435 32.099 1.00 0.00 C ATOM 901 O LEU A 57 8.257 4.127 30.974 1.00 0.00 O ATOM 902 CB LEU A 57 6.747 4.166 33.710 1.00 0.00 C ATOM 903 CG LEU A 57 5.656 4.917 34.477 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.555 3.933 34.887 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.260 5.544 35.734 1.00 0.00 C ATOM 0 H LEU A 57 5.958 5.837 31.972 1.00 0.00 H new ATOM 0 HA LEU A 57 8.288 5.711 33.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.298 3.518 32.958 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.309 3.525 34.389 1.00 0.00 H new ATOM 0 HG LEU A 57 5.236 5.697 33.842 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.776 4.465 35.434 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.125 3.476 33.996 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.979 3.157 35.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.485 6.080 36.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.677 4.761 36.367 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.050 6.239 35.450 1.00 0.00 H new ATOM 917 N SER A 58 9.814 4.147 32.577 1.00 0.00 N ATOM 918 CA SER A 58 10.791 3.415 31.719 1.00 0.00 C ATOM 919 C SER A 58 10.806 1.905 32.055 1.00 0.00 C ATOM 920 O SER A 58 10.861 1.532 33.211 1.00 0.00 O ATOM 921 CB SER A 58 12.193 3.986 31.999 1.00 0.00 C ATOM 922 OG SER A 58 12.314 3.935 33.413 1.00 0.00 O ATOM 0 H SER A 58 10.144 4.386 33.512 1.00 0.00 H new ATOM 0 HA SER A 58 10.506 3.538 30.674 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.968 3.395 31.511 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.289 5.006 31.628 1.00 0.00 H new ATOM 0 HG SER A 58 12.869 3.168 33.666 1.00 0.00 H new ATOM 928 N PRO A 59 10.755 1.054 31.025 1.00 0.00 N ATOM 929 CA PRO A 59 10.765 -0.398 31.231 1.00 0.00 C ATOM 930 C PRO A 59 12.040 -0.853 31.944 1.00 0.00 C ATOM 931 O PRO A 59 12.215 -2.023 32.220 1.00 0.00 O ATOM 932 CB PRO A 59 10.723 -1.004 29.810 1.00 0.00 C ATOM 933 CG PRO A 59 10.700 0.181 28.798 1.00 0.00 C ATOM 934 CD PRO A 59 10.673 1.482 29.618 1.00 0.00 C ATOM 0 HA PRO A 59 9.927 -0.713 31.853 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.592 -1.639 29.638 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.840 -1.631 29.686 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.578 0.152 28.152 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.825 0.117 28.151 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.508 2.131 29.355 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.760 2.046 29.431 1.00 0.00 H new ATOM 942 N TYR A 60 12.906 0.083 32.226 1.00 0.00 N ATOM 943 CA TYR A 60 14.152 -0.261 32.906 1.00 0.00 C ATOM 944 C TYR A 60 13.886 -0.385 34.379 1.00 0.00 C ATOM 945 O TYR A 60 14.620 -1.024 35.108 1.00 0.00 O ATOM 946 CB TYR A 60 15.164 0.874 32.673 1.00 0.00 C ATOM 947 CG TYR A 60 16.584 0.309 32.725 1.00 0.00 C ATOM 948 CD1 TYR A 60 17.080 -0.439 31.677 1.00 0.00 C ATOM 949 CD2 TYR A 60 17.392 0.545 33.820 1.00 0.00 C ATOM 950 CE1 TYR A 60 18.363 -0.944 31.722 1.00 0.00 C ATOM 951 CE2 TYR A 60 18.676 0.040 33.865 1.00 0.00 C ATOM 952 CZ TYR A 60 19.170 -0.708 32.815 1.00 0.00 C ATOM 953 OH TYR A 60 20.453 -1.211 32.860 1.00 0.00 O ATOM 0 H TYR A 60 12.788 1.072 32.007 1.00 0.00 H new ATOM 0 HA TYR A 60 14.545 -1.202 32.522 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.983 1.344 31.706 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.041 1.647 33.431 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.459 -0.631 30.815 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.016 1.129 34.647 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.738 -1.529 30.895 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.298 0.231 34.727 1.00 0.00 H new ATOM 0 HH TYR A 60 20.878 -0.947 33.702 1.00 0.00 H new ATOM 963 N ASP A 61 12.824 0.236 34.788 1.00 0.00 N ATOM 964 CA ASP A 61 12.452 0.194 36.195 1.00 0.00 C ATOM 965 C ASP A 61 11.182 0.995 36.418 1.00 0.00 C ATOM 966 O ASP A 61 11.200 2.210 36.403 1.00 0.00 O ATOM 967 CB ASP A 61 13.591 0.806 37.028 1.00 0.00 C ATOM 968 CG ASP A 61 14.182 2.000 36.276 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.218 2.464 36.725 1.00 0.00 O ATOM 970 OD2 ASP A 61 13.564 2.383 35.298 1.00 0.00 O ATOM 0 H ASP A 61 12.198 0.775 34.189 1.00 0.00 H new ATOM 0 HA ASP A 61 12.279 -0.839 36.496 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.215 1.124 38.001 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.363 0.060 37.213 1.00 0.00 H new ATOM 975 N LEU A 62 10.096 0.304 36.622 1.00 0.00 N ATOM 976 CA LEU A 62 8.814 1.013 36.847 1.00 0.00 C ATOM 977 C LEU A 62 8.849 1.775 38.154 1.00 0.00 C ATOM 978 O LEU A 62 7.823 2.113 38.713 1.00 0.00 O ATOM 979 CB LEU A 62 7.681 -0.021 36.892 1.00 0.00 C ATOM 980 CG LEU A 62 7.463 -0.584 35.485 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.176 -2.084 35.580 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.264 0.117 34.843 1.00 0.00 C ATOM 0 H LEU A 62 10.044 -0.714 36.642 1.00 0.00 H new ATOM 0 HA LEU A 62 8.650 1.723 36.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.932 -0.825 37.584 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.764 0.441 37.259 1.00 0.00 H new ATOM 0 HG LEU A 62 8.355 -0.418 34.881 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.020 -2.489 34.580 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.022 -2.587 36.047 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.281 -2.246 36.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.104 -0.280 33.841 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.374 -0.057 35.448 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.458 1.188 34.782 1.00 0.00 H new ATOM 994 N THR A 63 10.031 2.031 38.609 1.00 0.00 N ATOM 995 CA THR A 63 10.192 2.771 39.878 1.00 0.00 C ATOM 996 C THR A 63 10.461 4.240 39.594 1.00 0.00 C ATOM 997 O THR A 63 10.365 5.071 40.474 1.00 0.00 O ATOM 998 CB THR A 63 11.390 2.186 40.628 1.00 0.00 C ATOM 999 OG1 THR A 63 11.099 0.812 40.781 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.458 2.730 42.062 1.00 0.00 C ATOM 0 H THR A 63 10.901 1.757 38.153 1.00 0.00 H new ATOM 0 HA THR A 63 9.282 2.682 40.472 1.00 0.00 H new ATOM 0 HB THR A 63 12.310 2.416 40.090 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.834 0.373 41.257 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.318 2.299 42.574 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.558 3.815 42.035 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.546 2.463 42.596 1.00 0.00 H new ATOM 1008 N ARG A 64 10.792 4.528 38.356 1.00 0.00 N ATOM 1009 CA ARG A 64 11.076 5.936 37.976 1.00 0.00 C ATOM 1010 C ARG A 64 10.470 6.274 36.612 1.00 0.00 C ATOM 1011 O ARG A 64 10.394 5.432 35.725 1.00 0.00 O ATOM 1012 CB ARG A 64 12.599 6.115 37.881 1.00 0.00 C ATOM 1013 CG ARG A 64 13.175 6.342 39.277 1.00 0.00 C ATOM 1014 CD ARG A 64 14.481 5.560 39.410 1.00 0.00 C ATOM 1015 NE ARG A 64 15.406 5.983 38.320 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.441 5.240 38.034 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.399 5.129 38.912 1.00 0.00 N ATOM 1018 NH2 ARG A 64 16.478 4.632 36.881 1.00 0.00 N ATOM 0 H ARG A 64 10.876 3.847 37.601 1.00 0.00 H new ATOM 0 HA ARG A 64 10.640 6.594 38.728 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.052 5.233 37.429 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.837 6.961 37.236 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.354 7.404 39.442 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.463 6.017 40.035 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.935 5.746 40.384 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.288 4.489 39.347 1.00 0.00 H new ATOM 0 HE ARG A 64 15.232 6.845 37.803 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.332 5.618 39.805 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.215 4.553 38.706 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.707 4.741 36.222 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.278 4.047 36.638 1.00 0.00 H new ATOM 1032 N GLY A 65 10.052 7.505 36.473 1.00 0.00 N ATOM 1033 CA GLY A 65 9.445 7.945 35.183 1.00 0.00 C ATOM 1034 C GLY A 65 9.935 9.360 34.838 1.00 0.00 C ATOM 1035 O GLY A 65 11.027 9.742 35.211 1.00 0.00 O ATOM 0 H GLY A 65 10.105 8.223 37.196 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.716 7.251 34.387 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.358 7.934 35.259 1.00 0.00 H new ATOM 1039 N ARG A 66 9.131 10.104 34.117 1.00 0.00 N ATOM 1040 CA ARG A 66 9.564 11.488 33.759 1.00 0.00 C ATOM 1041 C ARG A 66 8.408 12.332 33.209 1.00 0.00 C ATOM 1042 O ARG A 66 7.554 11.840 32.497 1.00 0.00 O ATOM 1043 CB ARG A 66 10.661 11.400 32.684 1.00 0.00 C ATOM 1044 CG ARG A 66 10.669 9.998 32.077 1.00 0.00 C ATOM 1045 CD ARG A 66 11.373 10.051 30.719 1.00 0.00 C ATOM 1046 NE ARG A 66 11.292 8.711 30.075 1.00 0.00 N ATOM 1047 CZ ARG A 66 12.330 8.245 29.435 1.00 0.00 C ATOM 1048 NH1 ARG A 66 12.796 7.072 29.762 1.00 0.00 N ATOM 1049 NH2 ARG A 66 12.864 8.968 28.489 1.00 0.00 N ATOM 0 H ARG A 66 8.215 9.821 33.769 1.00 0.00 H new ATOM 0 HA ARG A 66 9.931 11.969 34.666 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.484 12.143 31.907 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.634 11.623 33.123 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.182 9.302 32.741 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.649 9.632 31.959 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.906 10.803 30.083 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.415 10.344 30.847 1.00 0.00 H new ATOM 0 HE ARG A 66 10.434 8.163 30.133 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.350 6.536 30.506 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.606 6.691 29.274 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.470 9.881 28.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.675 8.620 27.978 1.00 0.00 H new ATOM 1063 N ILE A 67 8.415 13.602 33.555 1.00 0.00 N ATOM 1064 CA ILE A 67 7.336 14.517 33.074 1.00 0.00 C ATOM 1065 C ILE A 67 7.771 15.207 31.789 1.00 0.00 C ATOM 1066 O ILE A 67 8.754 15.924 31.777 1.00 0.00 O ATOM 1067 CB ILE A 67 7.112 15.603 34.121 1.00 0.00 C ATOM 1068 CG1 ILE A 67 6.855 14.983 35.487 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.882 16.427 33.712 1.00 0.00 C ATOM 1070 CD1 ILE A 67 5.833 13.853 35.346 1.00 0.00 C ATOM 0 H ILE A 67 9.121 14.039 34.148 1.00 0.00 H new ATOM 0 HA ILE A 67 6.430 13.935 32.901 1.00 0.00 H new ATOM 0 HB ILE A 67 8.000 16.232 34.181 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.785 14.597 35.905 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.484 15.740 36.179 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.706 17.209 34.450 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.056 16.881 32.736 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.009 15.776 33.659 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.647 13.407 36.323 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.901 14.253 34.946 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.222 13.093 34.668 1.00 0.00 H new ATOM 1082 N THR A 68 7.036 14.981 30.735 1.00 0.00 N ATOM 1083 CA THR A 68 7.386 15.615 29.436 1.00 0.00 C ATOM 1084 C THR A 68 6.200 16.360 28.869 1.00 0.00 C ATOM 1085 O THR A 68 6.239 16.835 27.751 1.00 0.00 O ATOM 1086 CB THR A 68 7.783 14.516 28.458 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.835 13.486 28.650 1.00 0.00 O ATOM 1088 CG2 THR A 68 9.126 13.891 28.858 1.00 0.00 C ATOM 0 H THR A 68 6.209 14.385 30.719 1.00 0.00 H new ATOM 0 HA THR A 68 8.203 16.319 29.591 1.00 0.00 H new ATOM 0 HB THR A 68 7.838 14.920 27.447 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.935 13.835 28.484 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.390 13.109 28.146 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.900 14.659 28.857 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.044 13.460 29.856 1.00 0.00 H new ATOM 1096 N TRP A 69 5.156 16.456 29.643 1.00 0.00 N ATOM 1097 CA TRP A 69 3.970 17.168 29.144 1.00 0.00 C ATOM 1098 C TRP A 69 2.983 17.456 30.266 1.00 0.00 C ATOM 1099 O TRP A 69 2.381 16.549 30.809 1.00 0.00 O ATOM 1100 CB TRP A 69 3.295 16.246 28.116 1.00 0.00 C ATOM 1101 CG TRP A 69 3.789 14.803 28.352 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.059 14.295 29.548 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.032 13.930 27.405 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.489 13.056 29.284 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.502 12.738 27.938 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.884 14.056 26.036 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.818 11.685 27.104 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.203 13.000 25.205 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.669 11.816 25.740 1.00 0.00 C ATOM 0 H TRP A 69 5.081 16.075 30.586 1.00 0.00 H new ATOM 0 HA TRP A 69 4.270 18.122 28.709 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.211 16.296 28.217 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.536 16.568 27.103 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.956 14.772 30.512 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.781 12.403 30.011 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.518 14.981 25.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.182 10.757 27.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.088 13.101 24.136 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.917 10.991 25.089 1.00 0.00 H new ATOM 1120 N ARG A 70 2.839 18.722 30.590 1.00 0.00 N ATOM 1121 CA ARG A 70 1.913 19.111 31.655 1.00 0.00 C ATOM 1122 C ARG A 70 0.729 19.867 31.073 1.00 0.00 C ATOM 1123 O ARG A 70 0.867 20.588 30.103 1.00 0.00 O ATOM 1124 CB ARG A 70 2.652 20.020 32.647 1.00 0.00 C ATOM 1125 CG ARG A 70 2.944 21.360 31.983 1.00 0.00 C ATOM 1126 CD ARG A 70 3.748 22.227 32.950 1.00 0.00 C ATOM 1127 NE ARG A 70 3.624 23.655 32.541 1.00 0.00 N ATOM 1128 CZ ARG A 70 2.787 24.431 33.173 1.00 0.00 C ATOM 1129 NH1 ARG A 70 3.222 25.555 33.671 1.00 0.00 N ATOM 1130 NH2 ARG A 70 1.543 24.056 33.284 1.00 0.00 N ATOM 0 H ARG A 70 3.337 19.494 30.147 1.00 0.00 H new ATOM 0 HA ARG A 70 1.549 18.216 32.159 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.047 20.169 33.541 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.582 19.549 32.966 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.502 21.209 31.059 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.013 21.859 31.715 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.382 22.094 33.968 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.795 21.924 32.946 1.00 0.00 H new ATOM 0 HE ARG A 70 4.188 24.022 31.774 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.202 25.815 33.563 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.582 26.174 34.168 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.240 23.170 32.880 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.873 24.649 33.774 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.415 19.691 31.669 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.616 20.393 31.160 1.00 0.00 C ATOM 1146 C LYS A 71 -1.298 21.851 30.833 1.00 0.00 C ATOM 1147 O LYS A 71 -0.385 22.428 31.388 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.692 20.351 32.251 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.982 20.957 31.706 1.00 0.00 C ATOM 1150 CD LYS A 71 -5.169 20.126 32.195 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.347 20.343 33.699 1.00 0.00 C ATOM 1152 NZ LYS A 71 -4.536 19.358 34.470 1.00 0.00 N ATOM 0 H LYS A 71 -0.567 19.094 32.482 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.959 19.902 30.249 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.865 19.323 32.569 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.359 20.904 33.129 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.083 21.990 32.040 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.958 20.975 30.616 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.075 20.416 31.663 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.000 19.070 31.985 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.046 21.357 33.964 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.399 20.243 33.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.021 19.131 35.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.418 18.490 33.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.602 19.765 34.679 1.00 0.00 H new ATOM 1166 N LYS A 72 -2.059 22.419 29.932 1.00 0.00 N ATOM 1167 CA LYS A 72 -1.813 23.837 29.558 1.00 0.00 C ATOM 1168 C LYS A 72 -1.907 24.747 30.777 1.00 0.00 C ATOM 1169 O LYS A 72 -1.110 25.669 30.827 1.00 0.00 O ATOM 1170 CB LYS A 72 -2.884 24.264 28.538 1.00 0.00 C ATOM 1171 CG LYS A 72 -2.582 25.685 28.055 1.00 0.00 C ATOM 1172 CD LYS A 72 -3.798 26.227 27.299 1.00 0.00 C ATOM 1173 CE LYS A 72 -3.687 25.837 25.823 1.00 0.00 C ATOM 1174 NZ LYS A 72 -2.372 26.262 25.269 1.00 0.00 N ATOM 0 H LYS A 72 -2.832 21.964 29.446 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.812 23.923 29.136 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.894 23.575 27.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.873 24.225 28.994 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.349 26.329 28.903 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.706 25.683 27.406 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.716 25.824 27.726 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.849 27.311 27.398 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.802 24.758 25.716 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.494 26.301 25.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.490 26.552 24.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.004 27.062 25.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.701 25.469 25.320 1.00 0.00 H new TER 1188 LYS A 72