USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 34 ASN : amide:sc= -2.24 K(o=-4.6,f=-10!) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.35 K(o=-4.6,f=-7.4!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.581 USER MOD Single : A 24 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.44) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000791 USER MOD Single : A 27 SER OG : rot -106:sc= 0.0561 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0179) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.587 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 38 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.92) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -55:sc= 0.737 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.122 (180deg=0.115) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 52:sc= 0.0228 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 ASN : amide:sc= -3.38 K(o=-3.4,f=-14!) USER MOD Single : A 80 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -31:sc= 0.0425 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.945 -9.357 -9.561 1.00 0.00 N ATOM 2 CA ALA A 2 -6.926 -9.029 -8.107 1.00 0.00 C ATOM 3 C ALA A 2 -6.088 -7.767 -7.872 1.00 0.00 C ATOM 4 O ALA A 2 -6.285 -7.057 -6.905 1.00 0.00 O ATOM 5 CB ALA A 2 -6.322 -10.201 -7.327 1.00 0.00 C ATOM 0 HA ALA A 2 -7.945 -8.851 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.308 -9.962 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.924 -11.095 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.304 -10.381 -7.672 1.00 0.00 H new ATOM 13 N GLN A 3 -5.154 -7.486 -8.746 1.00 0.00 N ATOM 14 CA GLN A 3 -4.304 -6.270 -8.571 1.00 0.00 C ATOM 15 C GLN A 3 -5.173 -5.019 -8.682 1.00 0.00 C ATOM 16 O GLN A 3 -6.199 -5.020 -9.337 1.00 0.00 O ATOM 17 CB GLN A 3 -3.220 -6.234 -9.652 1.00 0.00 C ATOM 18 CG GLN A 3 -3.857 -6.417 -11.032 1.00 0.00 C ATOM 19 CD GLN A 3 -2.927 -5.847 -12.104 1.00 0.00 C ATOM 20 OE1 GLN A 3 -3.128 -4.744 -12.574 1.00 0.00 O ATOM 21 NE2 GLN A 3 -1.911 -6.555 -12.513 1.00 0.00 N ATOM 0 H GLN A 3 -4.944 -8.046 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.832 -6.301 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.685 -5.285 -9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.488 -7.021 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.042 -7.474 -11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.823 -5.913 -11.068 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.742 -7.480 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.285 -6.183 -13.227 1.00 0.00 H new ATOM 30 N LYS A 4 -4.767 -3.952 -8.044 1.00 0.00 N ATOM 31 CA LYS A 4 -5.563 -2.690 -8.104 1.00 0.00 C ATOM 32 C LYS A 4 -4.629 -1.487 -7.961 1.00 0.00 C ATOM 33 O LYS A 4 -3.726 -1.487 -7.148 1.00 0.00 O ATOM 34 CB LYS A 4 -6.587 -2.677 -6.969 1.00 0.00 C ATOM 35 CG LYS A 4 -7.913 -3.254 -7.471 1.00 0.00 C ATOM 36 CD LYS A 4 -9.078 -2.527 -6.792 1.00 0.00 C ATOM 37 CE LYS A 4 -10.389 -3.273 -7.065 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.362 -2.343 -7.705 1.00 0.00 N ATOM 0 H LYS A 4 -3.917 -3.900 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.081 -2.635 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.219 -3.263 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.734 -1.659 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.983 -3.144 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.962 -4.321 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.902 -2.464 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.147 -1.505 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.205 -4.129 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.800 -3.663 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.253 -2.847 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.545 -1.540 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.969 -1.992 -8.602 1.00 0.00 H new ATOM 52 N THR A 5 -4.845 -0.463 -8.747 1.00 0.00 N ATOM 53 CA THR A 5 -3.977 0.748 -8.663 1.00 0.00 C ATOM 54 C THR A 5 -4.569 1.727 -7.646 1.00 0.00 C ATOM 55 O THR A 5 -5.770 1.910 -7.579 1.00 0.00 O ATOM 56 CB THR A 5 -3.901 1.419 -10.036 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.500 0.461 -11.006 1.00 0.00 O ATOM 58 CG2 THR A 5 -2.885 2.562 -9.992 1.00 0.00 C ATOM 0 H THR A 5 -5.587 -0.414 -9.445 1.00 0.00 H new ATOM 0 HA THR A 5 -2.975 0.457 -8.348 1.00 0.00 H new ATOM 0 HB THR A 5 -4.880 1.818 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.452 0.888 -11.887 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.832 3.039 -10.971 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.194 3.295 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.904 2.167 -9.727 1.00 0.00 H new ATOM 66 N PHE A 6 -3.735 2.350 -6.854 1.00 0.00 N ATOM 67 CA PHE A 6 -4.244 3.315 -5.835 1.00 0.00 C ATOM 68 C PHE A 6 -3.594 4.684 -6.045 1.00 0.00 C ATOM 69 O PHE A 6 -2.659 4.828 -6.809 1.00 0.00 O ATOM 70 CB PHE A 6 -3.908 2.798 -4.435 1.00 0.00 C ATOM 71 CG PHE A 6 -4.779 1.606 -4.121 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.620 0.413 -4.836 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.746 1.693 -3.113 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.428 -0.692 -4.544 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.554 0.589 -2.821 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.396 -0.604 -3.536 1.00 0.00 C ATOM 0 H PHE A 6 -2.722 2.232 -6.869 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.325 3.413 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.856 2.518 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.067 3.584 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.873 0.345 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.868 2.613 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.305 -1.612 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.300 0.657 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.020 -1.456 -3.310 1.00 0.00 H new ATOM 86 N LYS A 7 -4.089 5.690 -5.370 1.00 0.00 N ATOM 87 CA LYS A 7 -3.517 7.060 -5.518 1.00 0.00 C ATOM 88 C LYS A 7 -2.959 7.524 -4.172 1.00 0.00 C ATOM 89 O LYS A 7 -3.566 7.320 -3.137 1.00 0.00 O ATOM 90 CB LYS A 7 -4.619 8.020 -5.969 1.00 0.00 C ATOM 91 CG LYS A 7 -3.997 9.224 -6.680 1.00 0.00 C ATOM 92 CD LYS A 7 -3.706 8.864 -8.138 1.00 0.00 C ATOM 93 CE LYS A 7 -5.021 8.737 -8.914 1.00 0.00 C ATOM 94 NZ LYS A 7 -5.282 10.002 -9.656 1.00 0.00 N ATOM 0 H LYS A 7 -4.870 5.619 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.717 7.046 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.309 7.507 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.198 8.354 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.674 10.077 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.076 9.521 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.077 9.630 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.152 7.926 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.966 7.899 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.842 8.529 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.174 9.917 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.351 10.791 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.503 10.182 -10.321 1.00 0.00 H new ATOM 108 N VAL A 8 -1.807 8.145 -4.180 1.00 0.00 N ATOM 109 CA VAL A 8 -1.202 8.625 -2.903 1.00 0.00 C ATOM 110 C VAL A 8 -1.665 10.056 -2.622 1.00 0.00 C ATOM 111 O VAL A 8 -1.245 10.990 -3.279 1.00 0.00 O ATOM 112 CB VAL A 8 0.323 8.594 -3.011 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.938 8.886 -1.642 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.775 7.210 -3.482 1.00 0.00 C ATOM 0 H VAL A 8 -1.259 8.340 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.519 7.974 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 8 0.649 9.348 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.025 8.864 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.618 9.871 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.610 8.131 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.862 7.189 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.447 6.457 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.338 6.997 -4.458 1.00 0.00 H new ATOM 124 N THR A 9 -2.523 10.233 -1.648 1.00 0.00 N ATOM 125 CA THR A 9 -3.013 11.604 -1.317 1.00 0.00 C ATOM 126 C THR A 9 -2.854 11.866 0.185 1.00 0.00 C ATOM 127 O THR A 9 -3.524 12.713 0.745 1.00 0.00 O ATOM 128 CB THR A 9 -4.491 11.724 -1.700 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.711 11.070 -2.942 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.870 13.200 -1.823 1.00 0.00 C ATOM 0 H THR A 9 -2.905 9.486 -1.068 1.00 0.00 H new ATOM 0 HA THR A 9 -2.429 12.337 -1.874 1.00 0.00 H new ATOM 0 HB THR A 9 -5.106 11.258 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.657 11.144 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.922 13.284 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.701 13.700 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.257 13.670 -2.592 1.00 0.00 H new ATOM 138 N ALA A 10 -1.972 11.149 0.843 1.00 0.00 N ATOM 139 CA ALA A 10 -1.773 11.361 2.304 1.00 0.00 C ATOM 140 C ALA A 10 -0.931 12.618 2.527 1.00 0.00 C ATOM 141 O ALA A 10 -0.225 13.066 1.644 1.00 0.00 O ATOM 142 CB ALA A 10 -1.051 10.150 2.902 1.00 0.00 C ATOM 0 H ALA A 10 -1.384 10.427 0.427 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.742 11.482 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.905 10.305 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.651 9.254 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.082 10.028 2.418 1.00 0.00 H new ATOM 148 N ASP A 11 -1.004 13.190 3.703 1.00 0.00 N ATOM 149 CA ASP A 11 -0.210 14.420 3.993 1.00 0.00 C ATOM 150 C ASP A 11 1.280 14.067 3.998 1.00 0.00 C ATOM 151 O ASP A 11 2.049 14.571 3.200 1.00 0.00 O ATOM 152 CB ASP A 11 -0.618 14.979 5.364 1.00 0.00 C ATOM 153 CG ASP A 11 -0.916 16.477 5.248 1.00 0.00 C ATOM 154 OD1 ASP A 11 -1.869 16.821 4.567 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.186 17.254 5.841 1.00 0.00 O ATOM 0 H ASP A 11 -1.581 12.856 4.475 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.401 15.173 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.497 14.452 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.181 14.813 6.087 1.00 0.00 H new ATOM 160 N SER A 12 1.689 13.201 4.890 1.00 0.00 N ATOM 161 CA SER A 12 3.125 12.802 4.953 1.00 0.00 C ATOM 162 C SER A 12 3.468 11.934 3.740 1.00 0.00 C ATOM 163 O SER A 12 4.592 11.920 3.275 1.00 0.00 O ATOM 164 CB SER A 12 3.377 12.006 6.234 1.00 0.00 C ATOM 165 OG SER A 12 2.262 11.160 6.486 1.00 0.00 O ATOM 0 H SER A 12 1.086 12.752 5.580 1.00 0.00 H new ATOM 0 HA SER A 12 3.750 13.695 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.285 11.411 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.531 12.684 7.073 1.00 0.00 H new ATOM 0 HG SER A 12 2.420 10.646 7.306 1.00 0.00 H new ATOM 171 N GLY A 13 2.505 11.210 3.228 1.00 0.00 N ATOM 172 CA GLY A 13 2.764 10.337 2.045 1.00 0.00 C ATOM 173 C GLY A 13 2.780 8.874 2.489 1.00 0.00 C ATOM 174 O GLY A 13 1.980 8.458 3.306 1.00 0.00 O ATOM 0 H GLY A 13 1.548 11.187 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.994 10.491 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.717 10.600 1.586 1.00 0.00 H new ATOM 178 N ILE A 14 3.687 8.094 1.959 1.00 0.00 N ATOM 179 CA ILE A 14 3.763 6.656 2.350 1.00 0.00 C ATOM 180 C ILE A 14 5.156 6.354 2.908 1.00 0.00 C ATOM 181 O ILE A 14 5.968 5.710 2.268 1.00 0.00 O ATOM 182 CB ILE A 14 3.494 5.777 1.125 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.175 6.201 0.473 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.404 4.311 1.557 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.971 5.421 -0.828 1.00 0.00 C ATOM 0 H ILE A 14 4.379 8.392 1.271 1.00 0.00 H new ATOM 0 HA ILE A 14 3.014 6.445 3.114 1.00 0.00 H new ATOM 0 HB ILE A 14 4.307 5.894 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.345 6.015 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.186 7.272 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.213 3.686 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.344 4.010 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.592 4.192 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.032 5.724 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.795 5.629 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.941 4.353 -0.611 1.00 0.00 H new ATOM 218 N ALA A 16 7.377 5.452 6.829 1.00 0.00 N ATOM 219 CA ALA A 16 7.341 4.318 7.808 1.00 0.00 C ATOM 220 C ALA A 16 5.990 4.220 8.536 1.00 0.00 C ATOM 221 O ALA A 16 5.471 3.137 8.721 1.00 0.00 O ATOM 222 CB ALA A 16 8.456 4.509 8.837 1.00 0.00 C ATOM 0 HA ALA A 16 7.483 3.392 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.435 3.687 9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.421 4.524 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.308 5.452 9.363 1.00 0.00 H new ATOM 228 N ARG A 17 5.429 5.321 8.979 1.00 0.00 N ATOM 229 CA ARG A 17 4.124 5.258 9.725 1.00 0.00 C ATOM 230 C ARG A 17 3.052 4.500 8.908 1.00 0.00 C ATOM 231 O ARG A 17 2.469 3.557 9.412 1.00 0.00 O ATOM 232 CB ARG A 17 3.634 6.678 10.039 1.00 0.00 C ATOM 233 CG ARG A 17 3.205 6.766 11.508 1.00 0.00 C ATOM 234 CD ARG A 17 4.440 6.934 12.401 1.00 0.00 C ATOM 235 NE ARG A 17 4.348 5.996 13.555 1.00 0.00 N ATOM 236 CZ ARG A 17 3.433 6.171 14.467 1.00 0.00 C ATOM 237 NH1 ARG A 17 3.510 7.186 15.284 1.00 0.00 N ATOM 238 NH2 ARG A 17 2.439 5.331 14.563 1.00 0.00 N ATOM 0 H ARG A 17 5.814 6.258 8.859 1.00 0.00 H new ATOM 0 HA ARG A 17 4.289 4.716 10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.427 7.399 9.838 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.797 6.936 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.526 7.607 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.660 5.866 11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.346 6.736 11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.507 7.962 12.758 1.00 0.00 H new ATOM 0 HE ARG A 17 5.001 5.216 13.632 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.287 7.843 15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.794 7.322 15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.378 4.538 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.723 5.468 15.276 1.00 0.00 H new ATOM 252 N PRO A 18 2.807 4.910 7.675 1.00 0.00 N ATOM 253 CA PRO A 18 1.797 4.240 6.836 1.00 0.00 C ATOM 254 C PRO A 18 2.315 2.876 6.368 1.00 0.00 C ATOM 255 O PRO A 18 1.544 1.999 6.026 1.00 0.00 O ATOM 256 CB PRO A 18 1.594 5.201 5.663 1.00 0.00 C ATOM 257 CG PRO A 18 2.861 6.078 5.596 1.00 0.00 C ATOM 258 CD PRO A 18 3.495 6.038 6.999 1.00 0.00 C ATOM 0 HA PRO A 18 0.864 4.038 7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.451 4.653 4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.705 5.814 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.555 5.700 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.611 7.100 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.571 5.874 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.342 6.976 7.533 1.00 0.00 H new ATOM 266 N ALA A 19 3.612 2.683 6.370 1.00 0.00 N ATOM 267 CA ALA A 19 4.179 1.369 5.950 1.00 0.00 C ATOM 268 C ALA A 19 3.966 0.342 7.071 1.00 0.00 C ATOM 269 O ALA A 19 3.976 -0.852 6.834 1.00 0.00 O ATOM 270 CB ALA A 19 5.676 1.523 5.676 1.00 0.00 C ATOM 0 H ALA A 19 4.302 3.382 6.646 1.00 0.00 H new ATOM 0 HA ALA A 19 3.679 1.029 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.090 0.563 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.827 2.254 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.179 1.862 6.582 1.00 0.00 H new ATOM 276 N THR A 20 3.767 0.797 8.287 1.00 0.00 N ATOM 277 CA THR A 20 3.548 -0.146 9.422 1.00 0.00 C ATOM 278 C THR A 20 2.071 -0.535 9.472 1.00 0.00 C ATOM 279 O THR A 20 1.722 -1.635 9.856 1.00 0.00 O ATOM 280 CB THR A 20 3.938 0.535 10.736 1.00 0.00 C ATOM 281 OG1 THR A 20 4.991 1.457 10.495 1.00 0.00 O ATOM 282 CG2 THR A 20 4.402 -0.521 11.740 1.00 0.00 C ATOM 0 H THR A 20 3.748 1.785 8.539 1.00 0.00 H new ATOM 0 HA THR A 20 4.160 -1.037 9.281 1.00 0.00 H new ATOM 0 HB THR A 20 3.076 1.065 11.141 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.627 2.270 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.680 -0.036 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.593 -1.228 11.924 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.264 -1.052 11.337 1.00 0.00 H new ATOM 290 N VAL A 21 1.203 0.363 9.080 1.00 0.00 N ATOM 291 CA VAL A 21 -0.258 0.055 9.094 1.00 0.00 C ATOM 292 C VAL A 21 -0.567 -0.927 7.968 1.00 0.00 C ATOM 293 O VAL A 21 -1.283 -1.896 8.141 1.00 0.00 O ATOM 294 CB VAL A 21 -1.058 1.335 8.864 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.539 1.067 9.133 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.563 2.438 9.805 1.00 0.00 C ATOM 0 H VAL A 21 1.444 1.298 8.750 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.529 -0.375 10.058 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.925 1.657 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.110 1.981 8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.897 0.290 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.668 0.739 10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.139 3.348 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.689 2.118 10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.492 2.635 9.612 1.00 0.00 H new ATOM 306 N LEU A 22 -0.028 -0.664 6.813 1.00 0.00 N ATOM 307 CA LEU A 22 -0.268 -1.540 5.638 1.00 0.00 C ATOM 308 C LEU A 22 0.409 -2.899 5.836 1.00 0.00 C ATOM 309 O LEU A 22 -0.203 -3.928 5.643 1.00 0.00 O ATOM 310 CB LEU A 22 0.309 -0.855 4.403 1.00 0.00 C ATOM 311 CG LEU A 22 -0.485 0.419 4.115 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.191 1.192 2.982 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.909 0.048 3.697 1.00 0.00 C ATOM 0 H LEU A 22 0.579 0.135 6.632 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.339 -1.705 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.360 -0.614 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.264 -1.527 3.546 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.518 1.038 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.373 2.101 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.207 1.455 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.222 0.572 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.476 0.956 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.875 -0.570 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.392 -0.507 4.502 1.00 0.00 H new ATOM 325 N VAL A 23 1.668 -2.915 6.206 1.00 0.00 N ATOM 326 CA VAL A 23 2.382 -4.219 6.399 1.00 0.00 C ATOM 327 C VAL A 23 1.624 -5.094 7.411 1.00 0.00 C ATOM 328 O VAL A 23 1.669 -6.308 7.347 1.00 0.00 O ATOM 329 CB VAL A 23 3.814 -3.953 6.897 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.773 -3.243 8.250 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.565 -5.281 7.044 1.00 0.00 C ATOM 0 H VAL A 23 2.232 -2.083 6.383 1.00 0.00 H new ATOM 0 HA VAL A 23 2.425 -4.748 5.447 1.00 0.00 H new ATOM 0 HB VAL A 23 4.328 -3.320 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.790 -3.059 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.247 -2.294 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.252 -3.870 8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.578 -5.089 7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.045 -5.915 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.606 -5.784 6.078 1.00 0.00 H new ATOM 341 N GLN A 24 0.937 -4.482 8.342 1.00 0.00 N ATOM 342 CA GLN A 24 0.181 -5.269 9.361 1.00 0.00 C ATOM 343 C GLN A 24 -1.044 -5.923 8.712 1.00 0.00 C ATOM 344 O GLN A 24 -1.423 -7.026 9.059 1.00 0.00 O ATOM 345 CB GLN A 24 -0.280 -4.335 10.485 1.00 0.00 C ATOM 346 CG GLN A 24 0.919 -3.934 11.354 1.00 0.00 C ATOM 347 CD GLN A 24 0.859 -4.669 12.696 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.443 -5.808 12.760 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.262 -4.060 13.777 1.00 0.00 N ATOM 0 H GLN A 24 0.867 -3.469 8.440 1.00 0.00 H new ATOM 0 HA GLN A 24 0.830 -6.045 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.748 -3.446 10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.034 -4.831 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.849 -4.175 10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.915 -2.857 11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.611 -3.103 13.723 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.228 -4.541 14.676 1.00 0.00 H new ATOM 358 N THR A 25 -1.669 -5.247 7.781 1.00 0.00 N ATOM 359 CA THR A 25 -2.878 -5.822 7.113 1.00 0.00 C ATOM 360 C THR A 25 -2.469 -6.957 6.167 1.00 0.00 C ATOM 361 O THR A 25 -2.912 -8.081 6.307 1.00 0.00 O ATOM 362 CB THR A 25 -3.585 -4.723 6.315 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.550 -3.509 7.053 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.038 -5.126 6.060 1.00 0.00 C ATOM 0 H THR A 25 -1.394 -4.321 7.454 1.00 0.00 H new ATOM 0 HA THR A 25 -3.551 -6.219 7.873 1.00 0.00 H new ATOM 0 HB THR A 25 -3.078 -4.584 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.000 -2.803 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.539 -4.342 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.063 -6.057 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.549 -5.267 7.012 1.00 0.00 H new ATOM 372 N ALA A 26 -1.639 -6.665 5.197 1.00 0.00 N ATOM 373 CA ALA A 26 -1.200 -7.712 4.222 1.00 0.00 C ATOM 374 C ALA A 26 -0.572 -8.906 4.953 1.00 0.00 C ATOM 375 O ALA A 26 -0.534 -10.005 4.432 1.00 0.00 O ATOM 376 CB ALA A 26 -0.169 -7.111 3.264 1.00 0.00 C ATOM 0 H ALA A 26 -1.243 -5.739 5.037 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.072 -8.059 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.153 -7.871 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.616 -6.276 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.692 -6.757 3.831 1.00 0.00 H new ATOM 382 N SER A 27 -0.080 -8.703 6.153 1.00 0.00 N ATOM 383 CA SER A 27 0.545 -9.831 6.910 1.00 0.00 C ATOM 384 C SER A 27 -0.486 -10.943 7.121 1.00 0.00 C ATOM 385 O SER A 27 -0.189 -12.114 6.971 1.00 0.00 O ATOM 386 CB SER A 27 1.035 -9.328 8.269 1.00 0.00 C ATOM 387 OG SER A 27 -0.080 -9.119 9.125 1.00 0.00 O ATOM 0 H SER A 27 -0.085 -7.806 6.639 1.00 0.00 H new ATOM 0 HA SER A 27 1.389 -10.221 6.341 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.717 -10.053 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.592 -8.399 8.146 1.00 0.00 H new ATOM 0 HG SER A 27 -0.242 -8.157 9.222 1.00 0.00 H new ATOM 393 N LYS A 28 -1.695 -10.581 7.464 1.00 0.00 N ATOM 394 CA LYS A 28 -2.757 -11.605 7.684 1.00 0.00 C ATOM 395 C LYS A 28 -3.025 -12.357 6.377 1.00 0.00 C ATOM 396 O LYS A 28 -3.433 -13.503 6.385 1.00 0.00 O ATOM 397 CB LYS A 28 -4.042 -10.913 8.145 1.00 0.00 C ATOM 398 CG LYS A 28 -3.938 -10.585 9.636 1.00 0.00 C ATOM 399 CD LYS A 28 -3.328 -9.194 9.812 1.00 0.00 C ATOM 400 CE LYS A 28 -3.705 -8.642 11.189 1.00 0.00 C ATOM 401 NZ LYS A 28 -5.083 -8.076 11.137 1.00 0.00 N ATOM 0 H LYS A 28 -1.993 -9.615 7.602 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.427 -12.311 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.202 -10.000 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.901 -11.559 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.925 -10.622 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.323 -11.330 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.244 -9.246 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.688 -8.526 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.653 -9.434 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.995 -7.872 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.302 -7.611 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.144 -7.381 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.766 -8.841 10.967 1.00 0.00 H new ATOM 415 N TYR A 29 -2.801 -11.719 5.254 1.00 0.00 N ATOM 416 CA TYR A 29 -3.045 -12.391 3.944 1.00 0.00 C ATOM 417 C TYR A 29 -1.742 -13.005 3.431 1.00 0.00 C ATOM 418 O TYR A 29 -0.706 -12.364 3.410 1.00 0.00 O ATOM 419 CB TYR A 29 -3.574 -11.369 2.935 1.00 0.00 C ATOM 420 CG TYR A 29 -4.812 -10.719 3.503 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.037 -11.396 3.464 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.736 -9.443 4.075 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.184 -10.798 3.997 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.884 -8.846 4.609 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.108 -9.523 4.570 1.00 0.00 C ATOM 426 OH TYR A 29 -8.240 -8.935 5.095 1.00 0.00 O ATOM 0 H TYR A 29 -2.459 -10.760 5.190 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.784 -13.182 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.814 -10.616 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.805 -11.858 1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.096 -12.380 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.792 -8.920 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.129 -11.320 3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.825 -7.862 5.051 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.983 -8.175 5.658 1.00 0.00 H new ATOM 436 N ASP A 30 -1.790 -14.246 3.021 1.00 0.00 N ATOM 437 CA ASP A 30 -0.564 -14.925 2.508 1.00 0.00 C ATOM 438 C ASP A 30 -0.339 -14.579 1.030 1.00 0.00 C ATOM 439 O ASP A 30 0.708 -14.862 0.479 1.00 0.00 O ATOM 440 CB ASP A 30 -0.729 -16.439 2.655 1.00 0.00 C ATOM 441 CG ASP A 30 -1.047 -16.778 4.112 1.00 0.00 C ATOM 442 OD1 ASP A 30 -2.187 -16.595 4.507 1.00 0.00 O ATOM 443 OD2 ASP A 30 -0.146 -17.216 4.809 1.00 0.00 O ATOM 0 H ASP A 30 -2.632 -14.822 3.020 1.00 0.00 H new ATOM 0 HA ASP A 30 0.297 -14.585 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.529 -16.793 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.184 -16.947 2.343 1.00 0.00 H new ATOM 448 N ALA A 31 -1.307 -13.974 0.377 1.00 0.00 N ATOM 449 CA ALA A 31 -1.140 -13.616 -1.066 1.00 0.00 C ATOM 450 C ALA A 31 0.091 -12.721 -1.240 1.00 0.00 C ATOM 451 O ALA A 31 0.516 -12.050 -0.320 1.00 0.00 O ATOM 452 CB ALA A 31 -2.384 -12.871 -1.552 1.00 0.00 C ATOM 0 H ALA A 31 -2.205 -13.714 0.784 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.007 -14.527 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.264 -12.609 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.260 -13.510 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.516 -11.962 -0.965 1.00 0.00 H new ATOM 458 N ASP A 32 0.664 -12.712 -2.417 1.00 0.00 N ATOM 459 CA ASP A 32 1.868 -11.868 -2.662 1.00 0.00 C ATOM 460 C ASP A 32 1.432 -10.482 -3.142 1.00 0.00 C ATOM 461 O ASP A 32 1.424 -10.198 -4.325 1.00 0.00 O ATOM 462 CB ASP A 32 2.746 -12.526 -3.730 1.00 0.00 C ATOM 463 CG ASP A 32 3.670 -13.552 -3.069 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.166 -14.392 -2.341 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.865 -13.480 -3.302 1.00 0.00 O ATOM 0 H ASP A 32 0.347 -13.255 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 32 2.435 -11.769 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.122 -13.012 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.336 -11.770 -4.248 1.00 0.00 H new ATOM 470 N VAL A 33 1.072 -9.621 -2.226 1.00 0.00 N ATOM 471 CA VAL A 33 0.634 -8.247 -2.613 1.00 0.00 C ATOM 472 C VAL A 33 1.856 -7.322 -2.650 1.00 0.00 C ATOM 473 O VAL A 33 2.560 -7.174 -1.670 1.00 0.00 O ATOM 474 CB VAL A 33 -0.389 -7.734 -1.586 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.616 -8.663 -1.569 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.247 -7.692 -0.188 1.00 0.00 C ATOM 0 H VAL A 33 1.062 -9.811 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 33 0.170 -8.265 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.701 -6.728 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.339 -8.297 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.074 -8.679 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.305 -9.672 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.484 -7.328 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.568 -8.694 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.109 -7.024 -0.200 1.00 0.00 H new ATOM 486 N ASN A 34 2.116 -6.710 -3.779 1.00 0.00 N ATOM 487 CA ASN A 34 3.299 -5.804 -3.891 1.00 0.00 C ATOM 488 C ASN A 34 2.857 -4.418 -4.365 1.00 0.00 C ATOM 489 O ASN A 34 2.209 -4.277 -5.386 1.00 0.00 O ATOM 490 CB ASN A 34 4.292 -6.391 -4.899 1.00 0.00 C ATOM 491 CG ASN A 34 4.630 -7.834 -4.514 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.404 -8.249 -3.394 1.00 0.00 O ATOM 493 ND2 ASN A 34 5.169 -8.621 -5.404 1.00 0.00 N ATOM 0 H ASN A 34 1.559 -6.799 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 34 3.772 -5.712 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.866 -6.363 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.200 -5.789 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.401 -9.584 -5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.359 -8.273 -6.344 1.00 0.00 H new ATOM 500 N LEU A 35 3.218 -3.394 -3.634 1.00 0.00 N ATOM 501 CA LEU A 35 2.842 -2.006 -4.036 1.00 0.00 C ATOM 502 C LEU A 35 3.944 -1.437 -4.931 1.00 0.00 C ATOM 503 O LEU A 35 5.080 -1.868 -4.866 1.00 0.00 O ATOM 504 CB LEU A 35 2.693 -1.135 -2.784 1.00 0.00 C ATOM 505 CG LEU A 35 2.159 0.248 -3.175 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.162 0.730 -2.120 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.322 1.242 -3.262 1.00 0.00 C ATOM 0 H LEU A 35 3.759 -3.461 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 35 1.896 -2.018 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.013 -1.611 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.656 -1.035 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 35 1.663 0.181 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.783 1.713 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.332 0.026 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.659 0.794 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.941 2.225 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.819 1.306 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.035 0.903 -4.014 1.00 0.00 H new ATOM 519 N GLU A 36 3.622 -0.482 -5.767 1.00 0.00 N ATOM 520 CA GLU A 36 4.659 0.103 -6.668 1.00 0.00 C ATOM 521 C GLU A 36 4.766 1.610 -6.435 1.00 0.00 C ATOM 522 O GLU A 36 3.854 2.242 -5.939 1.00 0.00 O ATOM 523 CB GLU A 36 4.278 -0.156 -8.128 1.00 0.00 C ATOM 524 CG GLU A 36 5.424 0.290 -9.042 1.00 0.00 C ATOM 525 CD GLU A 36 5.151 -0.188 -10.470 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.151 -1.389 -10.681 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.946 0.655 -11.327 1.00 0.00 O ATOM 0 H GLU A 36 2.688 -0.084 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 36 5.619 -0.364 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.070 -1.215 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.366 0.386 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.518 1.376 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.369 -0.119 -8.684 1.00 0.00 H new ATOM 534 N TYR A 37 5.880 2.182 -6.805 1.00 0.00 N ATOM 535 CA TYR A 37 6.080 3.648 -6.631 1.00 0.00 C ATOM 536 C TYR A 37 6.921 4.164 -7.800 1.00 0.00 C ATOM 537 O TYR A 37 8.128 4.042 -7.798 1.00 0.00 O ATOM 538 CB TYR A 37 6.812 3.916 -5.312 1.00 0.00 C ATOM 539 CG TYR A 37 6.909 5.405 -5.078 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.748 6.189 -5.066 1.00 0.00 C ATOM 541 CD2 TYR A 37 8.160 6.003 -4.878 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.838 7.569 -4.851 1.00 0.00 C ATOM 543 CE2 TYR A 37 8.249 7.384 -4.664 1.00 0.00 C ATOM 544 CZ TYR A 37 7.088 8.167 -4.650 1.00 0.00 C ATOM 545 OH TYR A 37 7.176 9.528 -4.439 1.00 0.00 O ATOM 0 H TYR A 37 6.668 1.690 -7.225 1.00 0.00 H new ATOM 0 HA TYR A 37 5.116 4.157 -6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.280 3.442 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.809 3.477 -5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.784 5.729 -5.223 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.055 5.399 -4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.943 8.173 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.213 7.845 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 37 8.115 9.780 -4.316 1.00 0.00 H new ATOM 555 N ASN A 38 6.283 4.729 -8.799 1.00 0.00 N ATOM 556 CA ASN A 38 7.016 5.254 -10.000 1.00 0.00 C ATOM 557 C ASN A 38 7.484 4.078 -10.869 1.00 0.00 C ATOM 558 O ASN A 38 6.847 3.737 -11.848 1.00 0.00 O ATOM 559 CB ASN A 38 8.223 6.117 -9.574 1.00 0.00 C ATOM 560 CG ASN A 38 8.054 7.545 -10.104 1.00 0.00 C ATOM 561 OD1 ASN A 38 7.562 7.747 -11.195 1.00 0.00 O ATOM 562 ND2 ASN A 38 8.445 8.550 -9.369 1.00 0.00 N ATOM 0 H ASN A 38 5.271 4.851 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 38 6.339 5.884 -10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.307 6.130 -8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.146 5.683 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.337 9.505 -9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.859 8.381 -8.452 1.00 0.00 H new ATOM 569 N GLY A 39 8.583 3.451 -10.522 1.00 0.00 N ATOM 570 CA GLY A 39 9.080 2.298 -11.329 1.00 0.00 C ATOM 571 C GLY A 39 9.775 1.285 -10.412 1.00 0.00 C ATOM 572 O GLY A 39 10.645 0.550 -10.839 1.00 0.00 O ATOM 0 H GLY A 39 9.156 3.691 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.249 1.821 -11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.775 2.649 -12.092 1.00 0.00 H new ATOM 576 N LYS A 40 9.395 1.242 -9.160 1.00 0.00 N ATOM 577 CA LYS A 40 10.025 0.277 -8.211 1.00 0.00 C ATOM 578 C LYS A 40 8.931 -0.567 -7.555 1.00 0.00 C ATOM 579 O LYS A 40 8.035 -0.046 -6.918 1.00 0.00 O ATOM 580 CB LYS A 40 10.792 1.045 -7.134 1.00 0.00 C ATOM 581 CG LYS A 40 11.808 1.977 -7.798 1.00 0.00 C ATOM 582 CD LYS A 40 12.917 2.315 -6.801 1.00 0.00 C ATOM 583 CE LYS A 40 14.010 3.118 -7.506 1.00 0.00 C ATOM 584 NZ LYS A 40 13.665 4.567 -7.467 1.00 0.00 N ATOM 0 H LYS A 40 8.673 1.836 -8.754 1.00 0.00 H new ATOM 0 HA LYS A 40 10.715 -0.371 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.100 1.622 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.302 0.348 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.232 1.500 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.315 2.890 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.510 2.888 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.336 1.400 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.971 2.949 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.112 2.785 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.408 5.114 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.756 4.721 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.589 4.879 -6.478 1.00 0.00 H new ATOM 598 N THR A 41 8.993 -1.865 -7.714 1.00 0.00 N ATOM 599 CA THR A 41 7.952 -2.745 -7.108 1.00 0.00 C ATOM 600 C THR A 41 8.422 -3.250 -5.742 1.00 0.00 C ATOM 601 O THR A 41 9.192 -4.187 -5.648 1.00 0.00 O ATOM 602 CB THR A 41 7.692 -3.941 -8.028 1.00 0.00 C ATOM 603 OG1 THR A 41 7.388 -3.474 -9.334 1.00 0.00 O ATOM 604 CG2 THR A 41 6.514 -4.758 -7.488 1.00 0.00 C ATOM 0 H THR A 41 9.720 -2.352 -8.238 1.00 0.00 H new ATOM 0 HA THR A 41 7.033 -2.172 -6.982 1.00 0.00 H new ATOM 0 HB THR A 41 8.581 -4.571 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.223 -4.238 -9.925 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.330 -5.609 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.749 -5.117 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.623 -4.131 -7.449 1.00 0.00 H new ATOM 612 N VAL A 42 7.940 -2.648 -4.687 1.00 0.00 N ATOM 613 CA VAL A 42 8.330 -3.103 -3.314 1.00 0.00 C ATOM 614 C VAL A 42 7.182 -3.913 -2.721 1.00 0.00 C ATOM 615 O VAL A 42 6.025 -3.655 -2.995 1.00 0.00 O ATOM 616 CB VAL A 42 8.636 -1.914 -2.379 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.109 -1.518 -2.511 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.745 -0.707 -2.711 1.00 0.00 C ATOM 0 H VAL A 42 7.293 -1.860 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 42 9.234 -3.706 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 42 8.428 -2.223 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.321 -0.678 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.739 -2.364 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.317 -1.229 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.982 0.116 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.923 -0.396 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.698 -0.984 -2.591 1.00 0.00 H new ATOM 628 N ASN A 43 7.494 -4.888 -1.909 1.00 0.00 N ATOM 629 CA ASN A 43 6.424 -5.719 -1.291 1.00 0.00 C ATOM 630 C ASN A 43 5.689 -4.890 -0.238 1.00 0.00 C ATOM 631 O ASN A 43 6.288 -4.110 0.478 1.00 0.00 O ATOM 632 CB ASN A 43 7.049 -6.949 -0.627 1.00 0.00 C ATOM 633 CG ASN A 43 6.033 -8.092 -0.611 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.194 -8.163 0.265 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.072 -8.998 -1.550 1.00 0.00 N ATOM 0 H ASN A 43 8.446 -5.144 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 43 5.722 -6.042 -2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.945 -7.252 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.358 -6.709 0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.399 -9.764 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.776 -8.940 -2.286 1.00 0.00 H new ATOM 642 N LEU A 44 4.393 -5.056 -0.135 1.00 0.00 N ATOM 643 CA LEU A 44 3.605 -4.287 0.877 1.00 0.00 C ATOM 644 C LEU A 44 4.163 -4.579 2.275 1.00 0.00 C ATOM 645 O LEU A 44 4.132 -3.740 3.155 1.00 0.00 O ATOM 646 CB LEU A 44 2.129 -4.716 0.788 1.00 0.00 C ATOM 647 CG LEU A 44 1.189 -3.675 1.432 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.414 -3.635 2.943 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.433 -2.278 0.840 1.00 0.00 C ATOM 0 H LEU A 44 3.845 -5.694 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 44 3.679 -3.217 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.854 -4.856 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.000 -5.678 1.284 1.00 0.00 H new ATOM 0 HG LEU A 44 0.160 -3.968 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.747 -2.898 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.207 -4.617 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.449 -3.361 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.759 -1.561 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.465 -1.980 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.248 -2.301 -0.234 1.00 0.00 H new ATOM 661 N LYS A 45 4.694 -5.761 2.470 1.00 0.00 N ATOM 662 CA LYS A 45 5.280 -6.114 3.795 1.00 0.00 C ATOM 663 C LYS A 45 6.767 -5.742 3.796 1.00 0.00 C ATOM 664 O LYS A 45 7.633 -6.583 3.958 1.00 0.00 O ATOM 665 CB LYS A 45 5.117 -7.618 4.040 1.00 0.00 C ATOM 666 CG LYS A 45 3.638 -8.000 3.934 1.00 0.00 C ATOM 667 CD LYS A 45 3.343 -8.528 2.528 1.00 0.00 C ATOM 668 CE LYS A 45 2.219 -9.563 2.597 1.00 0.00 C ATOM 669 NZ LYS A 45 2.800 -10.911 2.853 1.00 0.00 N ATOM 0 H LYS A 45 4.746 -6.497 1.765 1.00 0.00 H new ATOM 0 HA LYS A 45 4.768 -5.568 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.701 -8.180 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.500 -7.879 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.394 -8.759 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.012 -7.133 4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.055 -7.706 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.240 -8.977 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.517 -9.301 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.658 -9.569 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.036 -11.615 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.453 -11.160 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.317 -10.901 3.755 1.00 0.00 H new ATOM 683 N SER A 46 7.066 -4.481 3.612 1.00 0.00 N ATOM 684 CA SER A 46 8.488 -4.030 3.597 1.00 0.00 C ATOM 685 C SER A 46 8.555 -2.593 4.114 1.00 0.00 C ATOM 686 O SER A 46 8.612 -1.652 3.347 1.00 0.00 O ATOM 687 CB SER A 46 9.034 -4.089 2.167 1.00 0.00 C ATOM 688 OG SER A 46 10.431 -4.354 2.210 1.00 0.00 O ATOM 0 H SER A 46 6.379 -3.740 3.471 1.00 0.00 H new ATOM 0 HA SER A 46 9.088 -4.681 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.521 -4.867 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.846 -3.146 1.654 1.00 0.00 H new ATOM 0 HG SER A 46 10.785 -4.394 1.297 1.00 0.00 H new ATOM 694 N ILE A 47 8.541 -2.423 5.409 1.00 0.00 N ATOM 695 CA ILE A 47 8.592 -1.051 5.992 1.00 0.00 C ATOM 696 C ILE A 47 9.934 -0.395 5.650 1.00 0.00 C ATOM 697 O ILE A 47 10.000 0.786 5.369 1.00 0.00 O ATOM 698 CB ILE A 47 8.425 -1.132 7.510 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.133 -1.904 7.830 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.344 0.289 8.084 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.901 -1.940 9.344 1.00 0.00 C ATOM 0 H ILE A 47 8.496 -3.180 6.092 1.00 0.00 H new ATOM 0 HA ILE A 47 7.784 -0.450 5.574 1.00 0.00 H new ATOM 0 HB ILE A 47 9.275 -1.650 7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.285 -1.430 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.201 -2.920 7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.225 0.238 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.259 0.831 7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.490 0.809 7.649 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.984 -2.489 9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.742 -2.435 9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.812 -0.922 9.723 1.00 0.00 H new ATOM 713 N MET A 48 11.000 -1.153 5.676 1.00 0.00 N ATOM 714 CA MET A 48 12.340 -0.582 5.357 1.00 0.00 C ATOM 715 C MET A 48 12.458 -0.329 3.849 1.00 0.00 C ATOM 716 O MET A 48 13.239 0.498 3.413 1.00 0.00 O ATOM 717 CB MET A 48 13.425 -1.570 5.791 1.00 0.00 C ATOM 718 CG MET A 48 14.794 -0.894 5.704 1.00 0.00 C ATOM 719 SD MET A 48 15.222 -0.173 7.310 1.00 0.00 S ATOM 720 CE MET A 48 16.497 0.964 6.714 1.00 0.00 C ATOM 0 H MET A 48 10.998 -2.147 5.906 1.00 0.00 H new ATOM 0 HA MET A 48 12.463 0.362 5.888 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.238 -1.907 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.403 -2.454 5.154 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.551 -1.620 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.779 -0.118 4.939 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.907 1.524 7.555 1.00 0.00 H new ATOM 0 HE2 MET A 48 17.294 0.397 6.232 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.059 1.657 5.996 1.00 0.00 H new ATOM 730 N GLY A 49 11.697 -1.037 3.050 1.00 0.00 N ATOM 731 CA GLY A 49 11.770 -0.843 1.571 1.00 0.00 C ATOM 732 C GLY A 49 10.993 0.412 1.168 1.00 0.00 C ATOM 733 O GLY A 49 11.335 1.078 0.208 1.00 0.00 O ATOM 0 H GLY A 49 11.028 -1.742 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.810 -0.752 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.359 -1.714 1.061 1.00 0.00 H new ATOM 737 N VAL A 50 9.951 0.740 1.890 1.00 0.00 N ATOM 738 CA VAL A 50 9.148 1.951 1.548 1.00 0.00 C ATOM 739 C VAL A 50 9.858 3.201 2.077 1.00 0.00 C ATOM 740 O VAL A 50 9.866 4.235 1.436 1.00 0.00 O ATOM 741 CB VAL A 50 7.756 1.841 2.180 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.900 3.040 1.757 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.080 0.544 1.714 1.00 0.00 C ATOM 0 H VAL A 50 9.622 0.219 2.703 1.00 0.00 H new ATOM 0 HA VAL A 50 9.046 2.025 0.465 1.00 0.00 H new ATOM 0 HB VAL A 50 7.855 1.831 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.911 2.958 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.376 3.962 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.803 3.053 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.090 0.467 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.985 0.553 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.684 -0.311 2.018 1.00 0.00 H new ATOM 753 N VAL A 51 10.448 3.113 3.241 1.00 0.00 N ATOM 754 CA VAL A 51 11.157 4.294 3.819 1.00 0.00 C ATOM 755 C VAL A 51 12.325 4.684 2.908 1.00 0.00 C ATOM 756 O VAL A 51 12.698 5.839 2.826 1.00 0.00 O ATOM 757 CB VAL A 51 11.686 3.942 5.213 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.314 5.183 5.853 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.532 3.452 6.092 1.00 0.00 C ATOM 0 H VAL A 51 10.469 2.272 3.818 1.00 0.00 H new ATOM 0 HA VAL A 51 10.464 5.132 3.897 1.00 0.00 H new ATOM 0 HB VAL A 51 12.437 3.157 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.690 4.930 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.137 5.535 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.563 5.968 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.910 3.202 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.781 4.237 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.082 2.567 5.642 1.00 0.00 H new ATOM 769 N SER A 52 12.902 3.728 2.225 1.00 0.00 N ATOM 770 CA SER A 52 14.047 4.034 1.317 1.00 0.00 C ATOM 771 C SER A 52 13.554 4.876 0.138 1.00 0.00 C ATOM 772 O SER A 52 14.273 5.711 -0.381 1.00 0.00 O ATOM 773 CB SER A 52 14.644 2.727 0.794 1.00 0.00 C ATOM 774 OG SER A 52 13.657 2.022 0.052 1.00 0.00 O ATOM 0 H SER A 52 12.628 2.746 2.258 1.00 0.00 H new ATOM 0 HA SER A 52 14.808 4.589 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.509 2.935 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.995 2.116 1.626 1.00 0.00 H new ATOM 0 HG SER A 52 12.863 1.887 0.610 1.00 0.00 H new ATOM 780 N LEU A 53 12.335 4.663 -0.287 1.00 0.00 N ATOM 781 CA LEU A 53 11.789 5.448 -1.434 1.00 0.00 C ATOM 782 C LEU A 53 11.471 6.872 -0.974 1.00 0.00 C ATOM 783 O LEU A 53 11.953 7.836 -1.538 1.00 0.00 O ATOM 784 CB LEU A 53 10.509 4.781 -1.947 1.00 0.00 C ATOM 785 CG LEU A 53 10.811 3.339 -2.356 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.517 2.521 -2.340 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.404 3.322 -3.766 1.00 0.00 C ATOM 0 H LEU A 53 11.693 3.978 0.112 1.00 0.00 H new ATOM 0 HA LEU A 53 12.528 5.481 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.743 4.797 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.114 5.336 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 53 11.524 2.906 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.733 1.493 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.092 2.532 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.804 2.955 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.619 2.294 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.690 3.756 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.326 3.904 -3.780 1.00 0.00 H new ATOM 799 N GLY A 54 10.661 7.007 0.045 1.00 0.00 N ATOM 800 CA GLY A 54 10.302 8.365 0.548 1.00 0.00 C ATOM 801 C GLY A 54 9.156 8.931 -0.291 1.00 0.00 C ATOM 802 O GLY A 54 9.306 9.929 -0.971 1.00 0.00 O ATOM 0 H GLY A 54 10.232 6.232 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.008 8.311 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.167 9.025 0.494 1.00 0.00 H new ATOM 806 N ILE A 55 8.011 8.298 -0.247 1.00 0.00 N ATOM 807 CA ILE A 55 6.847 8.788 -1.039 1.00 0.00 C ATOM 808 C ILE A 55 6.240 10.011 -0.353 1.00 0.00 C ATOM 809 O ILE A 55 6.446 10.238 0.825 1.00 0.00 O ATOM 810 CB ILE A 55 5.796 7.678 -1.142 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.449 6.418 -1.716 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.660 8.130 -2.063 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.446 5.263 -1.699 1.00 0.00 C ATOM 0 H ILE A 55 7.834 7.460 0.306 1.00 0.00 H new ATOM 0 HA ILE A 55 7.178 9.065 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 55 5.393 7.464 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.786 6.604 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.331 6.155 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.913 7.339 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.198 9.029 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.059 8.344 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.915 4.368 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.130 5.071 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.578 5.526 -2.303 1.00 0.00 H new ATOM 825 N ALA A 56 5.501 10.803 -1.087 1.00 0.00 N ATOM 826 CA ALA A 56 4.882 12.021 -0.492 1.00 0.00 C ATOM 827 C ALA A 56 3.483 12.223 -1.078 1.00 0.00 C ATOM 828 O ALA A 56 2.994 11.404 -1.833 1.00 0.00 O ATOM 829 CB ALA A 56 5.754 13.234 -0.820 1.00 0.00 C ATOM 0 H ALA A 56 5.300 10.656 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 56 4.805 11.904 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.308 14.130 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.751 13.088 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.825 13.349 -1.902 1.00 0.00 H new ATOM 835 N LYS A 57 2.839 13.309 -0.733 1.00 0.00 N ATOM 836 CA LYS A 57 1.471 13.575 -1.265 1.00 0.00 C ATOM 837 C LYS A 57 1.556 13.910 -2.755 1.00 0.00 C ATOM 838 O LYS A 57 2.516 14.501 -3.212 1.00 0.00 O ATOM 839 CB LYS A 57 0.853 14.751 -0.513 1.00 0.00 C ATOM 840 CG LYS A 57 -0.672 14.678 -0.612 1.00 0.00 C ATOM 841 CD LYS A 57 -1.300 15.587 0.451 1.00 0.00 C ATOM 842 CE LYS A 57 -2.558 16.260 -0.113 1.00 0.00 C ATOM 843 NZ LYS A 57 -3.725 15.933 0.754 1.00 0.00 N ATOM 0 H LYS A 57 3.204 14.024 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 57 0.851 12.689 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.161 14.730 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.210 15.692 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.997 14.985 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.007 13.650 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.555 15.004 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.582 16.344 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.417 17.340 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.741 15.919 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.592 16.317 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.812 14.901 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.587 16.353 1.695 1.00 0.00 H new ATOM 857 N GLY A 58 0.556 13.535 -3.512 1.00 0.00 N ATOM 858 CA GLY A 58 0.568 13.825 -4.977 1.00 0.00 C ATOM 859 C GLY A 58 1.474 12.818 -5.687 1.00 0.00 C ATOM 860 O GLY A 58 2.466 13.181 -6.291 1.00 0.00 O ATOM 0 H GLY A 58 -0.270 13.039 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.444 13.767 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.924 14.840 -5.155 1.00 0.00 H new ATOM 864 N ALA A 59 1.139 11.556 -5.616 1.00 0.00 N ATOM 865 CA ALA A 59 1.973 10.514 -6.282 1.00 0.00 C ATOM 866 C ALA A 59 1.072 9.384 -6.786 1.00 0.00 C ATOM 867 O ALA A 59 -0.135 9.433 -6.646 1.00 0.00 O ATOM 868 CB ALA A 59 2.981 9.952 -5.277 1.00 0.00 C ATOM 0 H ALA A 59 0.320 11.202 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 59 2.505 10.957 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.592 9.190 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.622 10.756 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.448 9.509 -4.436 1.00 0.00 H new ATOM 874 N GLU A 60 1.654 8.369 -7.374 1.00 0.00 N ATOM 875 CA GLU A 60 0.839 7.230 -7.894 1.00 0.00 C ATOM 876 C GLU A 60 1.412 5.916 -7.354 1.00 0.00 C ATOM 877 O GLU A 60 2.602 5.794 -7.132 1.00 0.00 O ATOM 878 CB GLU A 60 0.886 7.211 -9.427 1.00 0.00 C ATOM 879 CG GLU A 60 0.621 8.616 -9.980 1.00 0.00 C ATOM 880 CD GLU A 60 -0.802 9.047 -9.628 1.00 0.00 C ATOM 881 OE1 GLU A 60 -1.724 8.341 -10.001 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.947 10.078 -8.992 1.00 0.00 O ATOM 0 H GLU A 60 2.660 8.280 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.195 7.347 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.860 6.857 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.142 6.514 -9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.339 9.323 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.757 8.623 -11.061 1.00 0.00 H new ATOM 889 N ILE A 61 0.573 4.934 -7.143 1.00 0.00 N ATOM 890 CA ILE A 61 1.060 3.623 -6.617 1.00 0.00 C ATOM 891 C ILE A 61 0.329 2.483 -7.330 1.00 0.00 C ATOM 892 O ILE A 61 -0.771 2.654 -7.820 1.00 0.00 O ATOM 893 CB ILE A 61 0.796 3.540 -5.109 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.665 3.908 -4.819 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.723 4.513 -4.377 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.960 3.718 -3.329 1.00 0.00 C ATOM 0 H ILE A 61 -0.431 4.984 -7.313 1.00 0.00 H new ATOM 0 HA ILE A 61 2.131 3.537 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 61 0.986 2.524 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.854 4.942 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.332 3.284 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.537 4.456 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.761 4.249 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.532 5.528 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.999 3.980 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.789 2.677 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.303 4.361 -2.743 1.00 0.00 H new ATOM 908 N THR A 62 0.937 1.324 -7.395 1.00 0.00 N ATOM 909 CA THR A 62 0.283 0.169 -8.078 1.00 0.00 C ATOM 910 C THR A 62 0.425 -1.090 -7.221 1.00 0.00 C ATOM 911 O THR A 62 1.512 -1.602 -7.030 1.00 0.00 O ATOM 912 CB THR A 62 0.946 -0.065 -9.437 1.00 0.00 C ATOM 913 OG1 THR A 62 1.365 1.180 -9.978 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.053 -0.727 -10.387 1.00 0.00 C ATOM 0 H THR A 62 1.859 1.129 -7.004 1.00 0.00 H new ATOM 0 HA THR A 62 -0.775 0.391 -8.220 1.00 0.00 H new ATOM 0 HB THR A 62 1.811 -0.717 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.791 1.032 -10.848 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.420 -0.893 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.373 -1.682 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.920 -0.078 -10.514 1.00 0.00 H new ATOM 922 N ILE A 63 -0.668 -1.592 -6.708 1.00 0.00 N ATOM 923 CA ILE A 63 -0.615 -2.820 -5.864 1.00 0.00 C ATOM 924 C ILE A 63 -1.000 -4.035 -6.715 1.00 0.00 C ATOM 925 O ILE A 63 -1.699 -3.913 -7.702 1.00 0.00 O ATOM 926 CB ILE A 63 -1.596 -2.671 -4.696 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.223 -1.431 -3.880 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.528 -3.911 -3.799 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.276 -1.193 -2.795 1.00 0.00 C ATOM 0 H ILE A 63 -1.601 -1.200 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 63 0.393 -2.959 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.609 -2.566 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.242 -1.565 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.156 -0.561 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.227 -3.799 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.791 -4.795 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.517 -4.022 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.008 -0.310 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.250 -1.040 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.321 -2.060 -2.135 1.00 0.00 H new ATOM 941 N SER A 64 -0.549 -5.204 -6.333 1.00 0.00 N ATOM 942 CA SER A 64 -0.887 -6.430 -7.112 1.00 0.00 C ATOM 943 C SER A 64 -0.926 -7.642 -6.181 1.00 0.00 C ATOM 944 O SER A 64 0.097 -8.195 -5.824 1.00 0.00 O ATOM 945 CB SER A 64 0.163 -6.658 -8.197 1.00 0.00 C ATOM 946 OG SER A 64 1.443 -6.301 -7.695 1.00 0.00 O ATOM 0 H SER A 64 0.039 -5.360 -5.514 1.00 0.00 H new ATOM 0 HA SER A 64 -1.865 -6.298 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.160 -7.703 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.073 -6.062 -9.079 1.00 0.00 H new ATOM 0 HG SER A 64 1.599 -6.757 -6.842 1.00 0.00 H new ATOM 952 N ALA A 65 -2.103 -8.063 -5.797 1.00 0.00 N ATOM 953 CA ALA A 65 -2.229 -9.247 -4.897 1.00 0.00 C ATOM 954 C ALA A 65 -2.330 -10.512 -5.753 1.00 0.00 C ATOM 955 O ALA A 65 -3.207 -10.633 -6.587 1.00 0.00 O ATOM 956 CB ALA A 65 -3.494 -9.106 -4.046 1.00 0.00 C ATOM 0 H ALA A 65 -2.987 -7.635 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.359 -9.311 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.588 -9.970 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.430 -8.198 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.366 -9.050 -4.697 1.00 0.00 H new ATOM 962 N SER A 66 -1.436 -11.450 -5.560 1.00 0.00 N ATOM 963 CA SER A 66 -1.479 -12.704 -6.372 1.00 0.00 C ATOM 964 C SER A 66 -1.071 -13.897 -5.502 1.00 0.00 C ATOM 965 O SER A 66 0.092 -14.090 -5.206 1.00 0.00 O ATOM 966 CB SER A 66 -0.521 -12.571 -7.560 1.00 0.00 C ATOM 967 OG SER A 66 -1.262 -12.658 -8.770 1.00 0.00 O ATOM 0 H SER A 66 -0.680 -11.401 -4.877 1.00 0.00 H new ATOM 0 HA SER A 66 -2.492 -12.866 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.008 -11.619 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.233 -13.357 -7.524 1.00 0.00 H new ATOM 0 HG SER A 66 -0.653 -12.572 -9.533 1.00 0.00 H new ATOM 973 N GLY A 67 -2.024 -14.701 -5.098 1.00 0.00 N ATOM 974 CA GLY A 67 -1.702 -15.887 -4.252 1.00 0.00 C ATOM 975 C GLY A 67 -2.984 -16.671 -3.958 1.00 0.00 C ATOM 976 O GLY A 67 -3.703 -17.061 -4.860 1.00 0.00 O ATOM 0 H GLY A 67 -3.013 -14.585 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.982 -16.526 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.238 -15.566 -3.319 1.00 0.00 H new ATOM 980 N ALA A 68 -3.272 -16.901 -2.702 1.00 0.00 N ATOM 981 CA ALA A 68 -4.506 -17.659 -2.337 1.00 0.00 C ATOM 982 C ALA A 68 -5.667 -16.682 -2.142 1.00 0.00 C ATOM 983 O ALA A 68 -6.591 -16.639 -2.932 1.00 0.00 O ATOM 984 CB ALA A 68 -4.262 -18.430 -1.038 1.00 0.00 C ATOM 0 H ALA A 68 -2.704 -16.595 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.753 -18.359 -3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.161 -18.984 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.435 -19.126 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.016 -17.730 -0.240 1.00 0.00 H new ATOM 990 N ASP A 69 -5.622 -15.898 -1.095 1.00 0.00 N ATOM 991 CA ASP A 69 -6.718 -14.917 -0.839 1.00 0.00 C ATOM 992 C ASP A 69 -6.284 -13.534 -1.339 1.00 0.00 C ATOM 993 O ASP A 69 -6.392 -12.545 -0.638 1.00 0.00 O ATOM 994 CB ASP A 69 -7.013 -14.860 0.664 1.00 0.00 C ATOM 995 CG ASP A 69 -5.717 -14.599 1.435 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.183 -13.511 1.308 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.282 -15.494 2.142 1.00 0.00 O ATOM 0 H ASP A 69 -4.871 -15.896 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.620 -15.226 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.737 -14.072 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.460 -15.798 0.992 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.792 -13.463 -2.550 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.342 -12.153 -3.112 1.00 0.00 C ATOM 1004 C GLU A 70 -6.513 -11.166 -3.144 1.00 0.00 C ATOM 1005 O GLU A 70 -6.332 -9.973 -2.992 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.812 -12.363 -4.535 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.889 -13.028 -5.397 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.229 -13.960 -6.415 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.644 -13.454 -7.358 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.320 -15.162 -6.233 1.00 0.00 O ATOM 0 H GLU A 70 -5.682 -14.260 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.551 -11.747 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.524 -11.406 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.917 -12.985 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.577 -13.591 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.477 -12.268 -5.912 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.711 -11.655 -3.344 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.897 -10.750 -3.391 1.00 0.00 C ATOM 1019 C ASN A 71 -9.170 -10.180 -1.997 1.00 0.00 C ATOM 1020 O ASN A 71 -9.623 -9.058 -1.853 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.121 -11.539 -3.863 1.00 0.00 C ATOM 1022 CG ASN A 71 -10.180 -11.522 -5.391 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.160 -11.500 -6.051 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -11.342 -11.532 -5.986 1.00 0.00 N ATOM 0 H ASN A 71 -7.918 -12.645 -3.477 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.697 -9.932 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.066 -12.566 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.030 -11.103 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.393 -11.521 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.198 -11.550 -5.432 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.900 -10.944 -0.973 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.142 -10.456 0.416 1.00 0.00 C ATOM 1033 C ASP A 72 -8.027 -9.492 0.836 1.00 0.00 C ATOM 1034 O ASP A 72 -8.207 -8.675 1.720 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.171 -11.646 1.376 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.315 -12.588 0.991 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.431 -12.111 0.864 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.054 -13.769 0.830 1.00 0.00 O ATOM 0 H ASP A 72 -8.521 -11.889 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.098 -9.933 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.220 -12.178 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.303 -11.297 2.400 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.875 -9.586 0.220 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.749 -8.682 0.594 1.00 0.00 C ATOM 1045 C ALA A 73 -5.912 -7.318 -0.083 1.00 0.00 C ATOM 1046 O ALA A 73 -5.603 -6.296 0.500 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.424 -9.306 0.154 1.00 0.00 C ATOM 0 H ALA A 73 -6.667 -10.250 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.755 -8.546 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.602 -8.645 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.294 -10.270 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.430 -9.449 -0.927 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.378 -7.289 -1.310 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.533 -5.981 -2.015 1.00 0.00 C ATOM 1055 C LEU A 74 -7.644 -5.155 -1.358 1.00 0.00 C ATOM 1056 O LEU A 74 -7.501 -3.961 -1.174 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.831 -6.209 -3.511 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.213 -6.846 -3.715 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.293 -5.753 -3.775 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -8.215 -7.633 -5.029 1.00 0.00 C ATOM 0 H LEU A 74 -6.655 -8.110 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.599 -5.425 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.785 -5.258 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.064 -6.853 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.428 -7.514 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.270 -6.214 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.293 -5.190 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.083 -5.079 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.194 -8.088 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.997 -6.959 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.455 -8.413 -4.987 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.746 -5.772 -1.005 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.853 -5.001 -0.364 1.00 0.00 C ATOM 1074 C ASN A 75 -9.527 -4.751 1.114 1.00 0.00 C ATOM 1075 O ASN A 75 -10.091 -3.869 1.733 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.177 -5.765 -0.492 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.043 -7.167 0.103 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.176 -7.417 0.912 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.878 -8.098 -0.268 1.00 0.00 N ATOM 0 H ASN A 75 -8.925 -6.768 -1.132 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.955 -4.042 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.970 -5.220 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.464 -5.834 -1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.801 -9.037 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.608 -7.887 -0.949 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.617 -5.509 1.682 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.254 -5.299 3.113 1.00 0.00 C ATOM 1088 C ALA A 76 -7.507 -3.970 3.253 1.00 0.00 C ATOM 1089 O ALA A 76 -7.927 -3.087 3.976 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.356 -6.443 3.585 1.00 0.00 C ATOM 0 H ALA A 76 -8.113 -6.262 1.213 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.158 -5.276 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.091 -6.289 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.887 -7.389 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.449 -6.467 2.980 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.401 -3.823 2.565 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.622 -2.552 2.654 1.00 0.00 C ATOM 1098 C LEU A 77 -6.380 -1.425 1.944 1.00 0.00 C ATOM 1099 O LEU A 77 -6.192 -0.264 2.248 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.255 -2.737 1.990 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.579 -4.010 2.534 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.326 -4.990 1.384 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.247 -3.647 3.197 1.00 0.00 C ATOM 0 H LEU A 77 -6.005 -4.530 1.945 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.487 -2.292 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.373 -2.810 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.626 -1.869 2.184 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.234 -4.475 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.848 -5.890 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.274 -5.256 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.676 -4.523 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.773 -4.551 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.592 -3.177 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.427 -2.955 4.020 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.228 -1.754 0.997 1.00 0.00 N ATOM 1116 CA GLU A 78 -7.991 -0.693 0.269 1.00 0.00 C ATOM 1117 C GLU A 78 -8.918 0.042 1.245 1.00 0.00 C ATOM 1118 O GLU A 78 -8.820 1.243 1.415 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.816 -1.338 -0.853 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.587 -0.260 -1.630 1.00 0.00 C ATOM 1121 CD GLU A 78 -9.460 -0.516 -3.135 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -9.523 -1.669 -3.528 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -9.302 0.447 -3.868 1.00 0.00 O ATOM 0 H GLU A 78 -7.423 -2.710 0.698 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.294 0.025 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.159 -1.885 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.513 -2.062 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.637 -0.269 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.196 0.728 -1.385 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.818 -0.666 1.883 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.755 -0.006 2.845 1.00 0.00 C ATOM 1132 C GLU A 79 -9.957 0.664 3.969 1.00 0.00 C ATOM 1133 O GLU A 79 -10.385 1.649 4.539 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.708 -1.050 3.437 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.906 -2.161 4.119 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.726 -3.452 4.128 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.285 -3.783 3.095 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.782 -4.089 5.167 1.00 0.00 O ATOM 0 H GLU A 79 -9.944 -1.673 1.779 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.335 0.751 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.377 -0.578 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.333 -1.472 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.965 -2.320 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.656 -1.870 5.139 1.00 0.00 H new ATOM 1145 N THR A 80 -8.796 0.142 4.282 1.00 0.00 N ATOM 1146 CA THR A 80 -7.963 0.753 5.360 1.00 0.00 C ATOM 1147 C THR A 80 -7.483 2.129 4.896 1.00 0.00 C ATOM 1148 O THR A 80 -7.383 3.060 5.671 1.00 0.00 O ATOM 1149 CB THR A 80 -6.753 -0.141 5.641 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.196 -1.460 5.930 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.973 0.411 6.835 1.00 0.00 C ATOM 0 H THR A 80 -8.391 -0.681 3.836 1.00 0.00 H new ATOM 0 HA THR A 80 -8.554 0.854 6.270 1.00 0.00 H new ATOM 0 HB THR A 80 -6.105 -0.160 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.197 -1.992 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.112 -0.227 7.033 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.632 1.422 6.611 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.619 0.432 7.713 1.00 0.00 H new ATOM 1159 N MET A 81 -7.194 2.257 3.628 1.00 0.00 N ATOM 1160 CA MET A 81 -6.728 3.561 3.078 1.00 0.00 C ATOM 1161 C MET A 81 -7.897 4.549 3.051 1.00 0.00 C ATOM 1162 O MET A 81 -7.710 5.747 3.141 1.00 0.00 O ATOM 1163 CB MET A 81 -6.206 3.350 1.654 1.00 0.00 C ATOM 1164 CG MET A 81 -4.718 2.974 1.694 1.00 0.00 C ATOM 1165 SD MET A 81 -3.702 4.406 1.242 1.00 0.00 S ATOM 1166 CE MET A 81 -2.360 3.489 0.450 1.00 0.00 C ATOM 0 H MET A 81 -7.262 1.504 2.943 1.00 0.00 H new ATOM 0 HA MET A 81 -5.931 3.960 3.705 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.776 2.562 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.345 4.258 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.449 2.628 2.692 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.524 2.150 1.008 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.605 4.188 0.089 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.909 2.809 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.756 2.917 -0.389 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.101 4.050 2.924 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.293 4.945 2.884 1.00 0.00 C ATOM 1178 C LYS A 82 -10.724 5.314 4.310 1.00 0.00 C ATOM 1179 O LYS A 82 -11.400 6.304 4.519 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.441 4.222 2.175 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.043 3.928 0.726 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.120 5.215 -0.097 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.584 5.548 -0.389 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.738 7.022 -0.537 1.00 0.00 N ATOM 0 H LYS A 82 -9.308 3.054 2.846 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.039 5.857 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.675 3.293 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.341 4.836 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.032 3.522 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.705 3.173 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.651 6.035 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.570 5.096 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.908 5.045 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.219 5.185 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.733 7.249 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.445 7.492 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.144 7.356 -1.322 1.00 0.00 H new ATOM 1198 N SER A 83 -10.345 4.527 5.288 1.00 0.00 N ATOM 1199 CA SER A 83 -10.739 4.833 6.696 1.00 0.00 C ATOM 1200 C SER A 83 -9.897 5.997 7.223 1.00 0.00 C ATOM 1201 O SER A 83 -10.423 6.984 7.704 1.00 0.00 O ATOM 1202 CB SER A 83 -10.507 3.601 7.571 1.00 0.00 C ATOM 1203 OG SER A 83 -9.161 3.166 7.422 1.00 0.00 O ATOM 0 H SER A 83 -9.780 3.686 5.170 1.00 0.00 H new ATOM 0 HA SER A 83 -11.794 5.106 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.711 3.838 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.193 2.803 7.285 1.00 0.00 H new ATOM 0 HG SER A 83 -8.847 3.379 6.518 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.596 5.888 7.137 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.713 6.984 7.634 1.00 0.00 C ATOM 1211 C GLU A 84 -7.642 8.099 6.588 1.00 0.00 C ATOM 1212 O GLU A 84 -7.455 9.256 6.917 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.308 6.432 7.889 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.356 5.427 9.041 1.00 0.00 C ATOM 1215 CD GLU A 84 -6.413 6.180 10.371 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -5.399 6.737 10.757 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -7.469 6.186 10.981 1.00 0.00 O ATOM 0 H GLU A 84 -8.107 5.085 6.743 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.120 7.384 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.926 5.951 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.624 7.246 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.228 4.781 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.477 4.783 9.013 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.788 7.760 5.332 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.729 8.796 4.259 1.00 0.00 C ATOM 1226 C GLY A 85 -6.283 8.959 3.789 1.00 0.00 C ATOM 1227 O GLY A 85 -5.838 10.050 3.489 1.00 0.00 O ATOM 0 H GLY A 85 -7.946 6.807 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.364 8.505 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.110 9.746 4.634 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.551 7.876 3.723 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.130 7.952 3.274 1.00 0.00 C ATOM 1233 C LEU A 86 -4.079 7.977 1.745 1.00 0.00 C ATOM 1234 O LEU A 86 -3.262 8.660 1.155 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.372 6.731 3.790 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.291 6.792 5.314 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.787 5.454 5.846 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.323 7.903 5.730 1.00 0.00 C ATOM 0 H LEU A 86 -5.878 6.940 3.962 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.670 8.859 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.877 5.817 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.370 6.704 3.362 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.279 7.000 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.728 5.494 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.474 4.662 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.798 5.249 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.265 7.947 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.334 7.695 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.680 8.859 5.347 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.946 7.238 1.102 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.958 7.210 -0.390 1.00 0.00 C ATOM 1252 C GLY A 87 -6.294 6.648 -0.881 1.00 0.00 C ATOM 1253 O GLY A 87 -7.025 6.025 -0.135 1.00 0.00 O ATOM 0 H GLY A 87 -5.649 6.650 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.808 8.215 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.136 6.597 -0.759 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.614 6.863 -2.133 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.900 6.342 -2.683 1.00 0.00 C ATOM 1259 C GLU A 88 -7.665 5.791 -4.090 1.00 0.00 C ATOM 1260 O GLU A 88 -8.133 4.697 -4.363 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.928 7.474 -2.743 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.343 8.663 -3.508 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.185 9.909 -3.234 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.304 10.278 -2.078 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.697 10.475 -4.186 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.022 6.472 -4.872 1.00 0.00 O ATOM 0 H GLU A 88 -6.037 7.378 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.275 5.547 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.838 7.126 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.206 7.780 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.311 8.834 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.327 8.449 -4.577 1.00 0.00 H new