USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 Single : A 29 GLN : amide:sc= 0.926 K(o=0.93,f=-0.35) USER MOD Single : A 30 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 2.42 (180deg=2.25) USER MOD Single : A 32 CYS SG : rot -140:sc= -3.95! USER MOD Single : A 34 SER OG : rot 180:sc= 0.156 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0212 USER MOD Single : A 36 HIS : no HE2:sc= 0.257 K(o=0.26,f=-3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 44 SER OG : rot -37:sc= 0.71 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.08) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.31) USER MOD Single : A 68 GLN : amide:sc= 0.577 K(o=0.58,f=-5.6!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 1.16 (180deg=0.94) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.924) USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= 0.985 (180deg=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.507 3.036 -1.928 1.00 0.00 N ATOM 20 CA ASP A 23 -12.389 1.645 -2.293 1.00 0.00 C ATOM 21 C ASP A 23 -10.906 1.293 -2.319 1.00 0.00 C ATOM 22 O ASP A 23 -10.188 1.637 -3.256 1.00 0.00 O ATOM 23 CB ASP A 23 -13.098 1.448 -3.640 1.00 0.00 C ATOM 24 CG ASP A 23 -14.522 1.998 -3.610 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.637 3.232 -3.410 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.458 1.185 -3.737 1.00 0.00 O ATOM 0 HA ASP A 23 -12.866 0.973 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.531 1.946 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.122 0.387 -3.888 1.00 0.00 H new ATOM 31 N ALA A 24 -10.446 0.657 -1.243 1.00 0.00 N ATOM 32 CA ALA A 24 -9.042 0.410 -0.972 1.00 0.00 C ATOM 33 C ALA A 24 -8.271 -0.083 -2.196 1.00 0.00 C ATOM 34 O ALA A 24 -7.241 0.484 -2.563 1.00 0.00 O ATOM 35 CB ALA A 24 -8.926 -0.584 0.169 1.00 0.00 C ATOM 0 H ALA A 24 -11.063 0.291 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.587 1.361 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.874 -0.775 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.405 -0.175 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.416 -1.517 -0.110 1.00 0.00 H new ATOM 41 N GLU A 25 -8.770 -1.138 -2.843 1.00 0.00 N ATOM 42 CA GLU A 25 -8.087 -1.651 -4.011 1.00 0.00 C ATOM 43 C GLU A 25 -8.073 -0.601 -5.120 1.00 0.00 C ATOM 44 O GLU A 25 -7.047 -0.440 -5.757 1.00 0.00 O ATOM 45 CB GLU A 25 -8.632 -3.015 -4.446 1.00 0.00 C ATOM 46 CG GLU A 25 -9.796 -2.942 -5.435 1.00 0.00 C ATOM 47 CD GLU A 25 -10.346 -4.325 -5.767 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.980 -5.276 -5.041 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.124 -4.399 -6.740 1.00 0.00 O ATOM 0 H GLU A 25 -9.621 -1.636 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.046 -1.844 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.823 -3.589 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.956 -3.562 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.591 -2.326 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.464 -2.453 -6.351 1.00 0.00 H new ATOM 56 N ALA A 26 -9.155 0.156 -5.338 1.00 0.00 N ATOM 57 CA ALA A 26 -9.186 1.175 -6.384 1.00 0.00 C ATOM 58 C ALA A 26 -8.033 2.159 -6.202 1.00 0.00 C ATOM 59 O ALA A 26 -7.339 2.476 -7.167 1.00 0.00 O ATOM 60 CB ALA A 26 -10.530 1.906 -6.416 1.00 0.00 C ATOM 0 H ALA A 26 -10.019 0.079 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.066 0.674 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.517 2.657 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.329 1.190 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.703 2.393 -5.456 1.00 0.00 H new ATOM 66 N VAL A 27 -7.791 2.595 -4.960 1.00 0.00 N ATOM 67 CA VAL A 27 -6.598 3.371 -4.634 1.00 0.00 C ATOM 68 C VAL A 27 -5.372 2.609 -5.143 1.00 0.00 C ATOM 69 O VAL A 27 -4.639 3.098 -5.999 1.00 0.00 O ATOM 70 CB VAL A 27 -6.510 3.665 -3.119 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.308 4.558 -2.788 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.779 4.347 -2.590 1.00 0.00 C ATOM 0 H VAL A 27 -8.408 2.421 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.645 4.343 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.394 2.696 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.278 4.744 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.389 4.060 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.402 5.506 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.673 4.535 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.928 5.292 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.639 3.699 -2.761 1.00 0.00 H new ATOM 82 N VAL A 28 -5.150 1.388 -4.663 1.00 0.00 N ATOM 83 CA VAL A 28 -3.921 0.656 -4.948 1.00 0.00 C ATOM 84 C VAL A 28 -3.904 0.000 -6.331 1.00 0.00 C ATOM 85 O VAL A 28 -2.971 -0.709 -6.685 1.00 0.00 O ATOM 86 CB VAL A 28 -3.632 -0.257 -3.765 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.298 -1.015 -3.792 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.695 0.586 -2.489 1.00 0.00 C ATOM 0 H VAL A 28 -5.810 0.883 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.081 1.345 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.391 -1.038 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.211 -1.630 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.260 -1.653 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.475 -0.301 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.491 -0.046 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.951 1.381 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.688 1.025 -2.391 1.00 0.00 H new ATOM 98 N GLN A 29 -4.941 0.229 -7.124 1.00 0.00 N ATOM 99 CA GLN A 29 -5.048 -0.120 -8.522 1.00 0.00 C ATOM 100 C GLN A 29 -4.890 1.128 -9.400 1.00 0.00 C ATOM 101 O GLN A 29 -4.991 1.023 -10.619 1.00 0.00 O ATOM 102 CB GLN A 29 -6.320 -0.962 -8.714 1.00 0.00 C ATOM 103 CG GLN A 29 -6.173 -2.341 -8.041 1.00 0.00 C ATOM 104 CD GLN A 29 -5.076 -3.208 -8.660 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.348 -4.002 -9.554 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.833 -3.077 -8.199 1.00 0.00 N ATOM 0 H GLN A 29 -5.781 0.694 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.231 -0.757 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.176 -0.436 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.518 -1.091 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.958 -2.199 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.123 -2.871 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.633 -2.409 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.081 -3.645 -8.591 1.00 0.00 H new ATOM 115 N GLN A 30 -4.612 2.300 -8.801 1.00 0.00 N ATOM 116 CA GLN A 30 -4.257 3.513 -9.538 1.00 0.00 C ATOM 117 C GLN A 30 -2.968 4.183 -9.032 1.00 0.00 C ATOM 118 O GLN A 30 -2.159 4.654 -9.827 1.00 0.00 O ATOM 119 CB GLN A 30 -5.430 4.504 -9.487 1.00 0.00 C ATOM 120 CG GLN A 30 -5.546 5.230 -10.834 1.00 0.00 C ATOM 121 CD GLN A 30 -6.554 6.373 -10.799 1.00 0.00 C ATOM 122 OE1 GLN A 30 -6.256 7.482 -11.227 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.755 6.122 -10.289 1.00 0.00 N ATOM 0 H GLN A 30 -4.629 2.426 -7.789 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.057 3.214 -10.567 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.357 3.975 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.275 5.226 -8.685 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.569 5.621 -11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.839 4.516 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.976 5.189 -9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.456 6.862 -10.247 1.00 0.00 H new ATOM 132 N LYS A 31 -2.808 4.281 -7.712 1.00 0.00 N ATOM 133 CA LYS A 31 -1.912 5.217 -7.039 1.00 0.00 C ATOM 134 C LYS A 31 -0.580 4.563 -6.656 1.00 0.00 C ATOM 135 O LYS A 31 0.358 5.260 -6.274 1.00 0.00 O ATOM 136 CB LYS A 31 -2.638 5.781 -5.796 1.00 0.00 C ATOM 137 CG LYS A 31 -2.899 7.288 -5.901 1.00 0.00 C ATOM 138 CD LYS A 31 -3.663 7.763 -4.657 1.00 0.00 C ATOM 139 CE LYS A 31 -3.907 9.276 -4.684 1.00 0.00 C ATOM 140 NZ LYS A 31 -4.363 9.763 -3.367 1.00 0.00 N ATOM 0 H LYS A 31 -3.319 3.687 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.665 6.028 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.586 5.260 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.039 5.580 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.955 7.826 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.475 7.506 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.618 7.242 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.099 7.501 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.989 9.791 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.653 9.514 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.729 10.732 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.116 9.142 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.565 9.759 -2.700 1.00 0.00 H new ATOM 154 N CYS A 32 -0.524 3.228 -6.702 1.00 0.00 N ATOM 155 CA CYS A 32 0.584 2.428 -6.196 1.00 0.00 C ATOM 156 C CYS A 32 1.198 1.575 -7.308 1.00 0.00 C ATOM 157 O CYS A 32 2.422 1.402 -7.374 1.00 0.00 O ATOM 158 CB CYS A 32 0.069 1.556 -5.049 1.00 0.00 C ATOM 159 SG CYS A 32 -1.081 2.420 -3.922 1.00 0.00 S ATOM 0 H CYS A 32 -1.272 2.663 -7.105 1.00 0.00 H new ATOM 0 HA CYS A 32 1.373 3.084 -5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.433 0.683 -5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.919 1.190 -4.474 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.832 2.070 -2.695 1.00 0.00 H new ATOM 164 N ILE A 33 0.338 1.060 -8.200 1.00 0.00 N ATOM 165 CA ILE A 33 0.747 0.214 -9.317 1.00 0.00 C ATOM 166 C ILE A 33 1.879 0.851 -10.122 1.00 0.00 C ATOM 167 O ILE A 33 2.730 0.144 -10.657 1.00 0.00 O ATOM 168 CB ILE A 33 -0.444 -0.140 -10.227 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.142 1.092 -10.834 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.457 -0.971 -9.439 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.073 0.706 -11.987 1.00 0.00 C ATOM 0 H ILE A 33 -0.668 1.224 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 33 1.126 -0.715 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.042 -0.711 -11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.714 1.604 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.391 1.796 -11.193 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.300 -1.222 -10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.982 -1.888 -9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.812 -0.397 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.546 1.602 -12.388 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.496 0.218 -12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.840 0.023 -11.622 1.00 0.00 H new ATOM 183 N SER A 34 1.897 2.185 -10.166 1.00 0.00 N ATOM 184 CA SER A 34 2.927 3.017 -10.749 1.00 0.00 C ATOM 185 C SER A 34 4.337 2.469 -10.509 1.00 0.00 C ATOM 186 O SER A 34 5.162 2.512 -11.420 1.00 0.00 O ATOM 187 CB SER A 34 2.771 4.413 -10.136 1.00 0.00 C ATOM 188 OG SER A 34 1.396 4.685 -9.901 1.00 0.00 O ATOM 0 H SER A 34 1.139 2.739 -9.767 1.00 0.00 H new ATOM 0 HA SER A 34 2.806 3.042 -11.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.328 4.474 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.190 5.163 -10.806 1.00 0.00 H new ATOM 0 HG SER A 34 1.302 5.578 -9.508 1.00 0.00 H new ATOM 194 N CYS A 35 4.613 1.988 -9.288 1.00 0.00 N ATOM 195 CA CYS A 35 5.928 1.479 -8.907 1.00 0.00 C ATOM 196 C CYS A 35 5.835 0.020 -8.450 1.00 0.00 C ATOM 197 O CYS A 35 6.714 -0.784 -8.767 1.00 0.00 O ATOM 198 CB CYS A 35 6.569 2.390 -7.850 1.00 0.00 C ATOM 199 SG CYS A 35 6.343 4.143 -8.306 1.00 0.00 S ATOM 0 H CYS A 35 3.924 1.943 -8.538 1.00 0.00 H new ATOM 0 HA CYS A 35 6.581 1.492 -9.779 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.120 2.200 -6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.632 2.164 -7.761 1.00 0.00 H new ATOM 0 HG CYS A 35 6.888 4.901 -7.401 1.00 0.00 H new ATOM 204 N HIS A 36 4.775 -0.353 -7.727 1.00 0.00 N ATOM 205 CA HIS A 36 4.625 -1.722 -7.247 1.00 0.00 C ATOM 206 C HIS A 36 4.102 -2.679 -8.328 1.00 0.00 C ATOM 207 O HIS A 36 4.108 -3.890 -8.115 1.00 0.00 O ATOM 208 CB HIS A 36 3.778 -1.739 -5.972 1.00 0.00 C ATOM 209 CG HIS A 36 4.474 -1.060 -4.816 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.420 -1.636 -3.993 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.286 0.233 -4.400 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.760 -0.707 -3.080 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.112 0.452 -3.293 1.00 0.00 N ATOM 0 H HIS A 36 4.014 0.273 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 36 5.615 -2.103 -6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.827 -1.243 -6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.551 -2.770 -5.702 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.791 -2.584 -4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.618 0.954 -4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.464 -0.872 -2.278 1.00 0.00 H new ATOM 221 N GLY A 37 3.691 -2.173 -9.495 1.00 0.00 N ATOM 222 CA GLY A 37 3.184 -2.995 -10.585 1.00 0.00 C ATOM 223 C GLY A 37 1.708 -3.328 -10.374 1.00 0.00 C ATOM 224 O GLY A 37 1.224 -3.306 -9.245 1.00 0.00 O ATOM 0 H GLY A 37 3.703 -1.175 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.311 -2.470 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.763 -3.916 -10.651 1.00 0.00 H new ATOM 228 N GLY A 38 0.992 -3.632 -11.464 1.00 0.00 N ATOM 229 CA GLY A 38 -0.444 -3.906 -11.465 1.00 0.00 C ATOM 230 C GLY A 38 -0.870 -4.803 -10.303 1.00 0.00 C ATOM 231 O GLY A 38 -1.687 -4.415 -9.469 1.00 0.00 O ATOM 0 H GLY A 38 1.410 -3.695 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.990 -2.964 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.719 -4.381 -12.406 1.00 0.00 H new ATOM 235 N ASP A 39 -0.287 -6.000 -10.247 1.00 0.00 N ATOM 236 CA ASP A 39 -0.603 -7.028 -9.268 1.00 0.00 C ATOM 237 C ASP A 39 0.036 -6.751 -7.904 1.00 0.00 C ATOM 238 O ASP A 39 -0.208 -7.505 -6.962 1.00 0.00 O ATOM 239 CB ASP A 39 -0.126 -8.384 -9.807 1.00 0.00 C ATOM 240 CG ASP A 39 -0.600 -8.638 -11.229 1.00 0.00 C ATOM 241 OD1 ASP A 39 -0.023 -7.975 -12.121 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.525 -9.461 -11.392 1.00 0.00 O ATOM 0 H ASP A 39 0.440 -6.285 -10.904 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.682 -7.033 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.963 -8.422 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.491 -9.180 -9.157 1.00 0.00 H new ATOM 247 N LEU A 40 0.856 -5.694 -7.793 1.00 0.00 N ATOM 248 CA LEU A 40 1.558 -5.281 -6.579 1.00 0.00 C ATOM 249 C LEU A 40 2.701 -6.244 -6.241 1.00 0.00 C ATOM 250 O LEU A 40 3.204 -6.270 -5.114 1.00 0.00 O ATOM 251 CB LEU A 40 0.570 -5.043 -5.429 1.00 0.00 C ATOM 252 CG LEU A 40 -0.585 -4.118 -5.863 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.797 -4.330 -4.950 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.124 -2.657 -5.901 1.00 0.00 C ATOM 0 H LEU A 40 1.053 -5.081 -8.584 1.00 0.00 H new ATOM 0 HA LEU A 40 2.039 -4.319 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.167 -5.997 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.094 -4.600 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.893 -4.374 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.608 -3.673 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.125 -5.368 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.522 -4.101 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.954 -2.021 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.214 -2.356 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.696 -2.553 -6.611 1.00 0.00 H new ATOM 266 N THR A 41 3.139 -6.992 -7.256 1.00 0.00 N ATOM 267 CA THR A 41 4.188 -7.993 -7.235 1.00 0.00 C ATOM 268 C THR A 41 5.586 -7.366 -7.309 1.00 0.00 C ATOM 269 O THR A 41 6.573 -8.088 -7.211 1.00 0.00 O ATOM 270 CB THR A 41 3.929 -8.912 -8.434 1.00 0.00 C ATOM 271 OG1 THR A 41 3.527 -8.107 -9.531 1.00 0.00 O ATOM 272 CG2 THR A 41 2.800 -9.897 -8.110 1.00 0.00 C ATOM 0 H THR A 41 2.731 -6.899 -8.186 1.00 0.00 H new ATOM 0 HA THR A 41 4.167 -8.548 -6.297 1.00 0.00 H new ATOM 0 HB THR A 41 4.835 -9.470 -8.669 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.358 -8.677 -10.310 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.625 -10.545 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.082 -10.504 -7.250 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.889 -9.344 -7.881 1.00 0.00 H new ATOM 280 N GLY A 42 5.678 -6.040 -7.438 1.00 0.00 N ATOM 281 CA GLY A 42 6.915 -5.296 -7.290 1.00 0.00 C ATOM 282 C GLY A 42 7.611 -5.095 -8.635 1.00 0.00 C ATOM 283 O GLY A 42 8.240 -6.024 -9.138 1.00 0.00 O ATOM 0 H GLY A 42 4.875 -5.449 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.706 -4.326 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.581 -5.827 -6.610 1.00 0.00 H new ATOM 287 N ALA A 43 7.506 -3.895 -9.223 1.00 0.00 N ATOM 288 CA ALA A 43 8.169 -3.569 -10.483 1.00 0.00 C ATOM 289 C ALA A 43 9.403 -2.700 -10.220 1.00 0.00 C ATOM 290 O ALA A 43 10.532 -3.159 -10.365 1.00 0.00 O ATOM 291 CB ALA A 43 7.171 -2.905 -11.438 1.00 0.00 C ATOM 0 H ALA A 43 6.958 -3.127 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 43 8.521 -4.481 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.671 -2.664 -12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.344 -3.588 -11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.788 -1.990 -10.986 1.00 0.00 H new ATOM 297 N SER A 44 9.183 -1.444 -9.822 1.00 0.00 N ATOM 298 CA SER A 44 10.214 -0.487 -9.427 1.00 0.00 C ATOM 299 C SER A 44 10.333 -0.402 -7.900 1.00 0.00 C ATOM 300 O SER A 44 11.058 0.450 -7.389 1.00 0.00 O ATOM 301 CB SER A 44 9.893 0.891 -10.019 1.00 0.00 C ATOM 302 OG SER A 44 10.964 1.784 -9.786 1.00 0.00 O ATOM 0 H SER A 44 8.243 -1.053 -9.765 1.00 0.00 H new ATOM 0 HA SER A 44 11.173 -0.829 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.711 0.801 -11.090 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.979 1.283 -9.572 1.00 0.00 H new ATOM 0 HG SER A 44 11.350 1.609 -8.902 1.00 0.00 H new ATOM 308 N ALA A 45 9.559 -1.214 -7.182 1.00 0.00 N ATOM 309 CA ALA A 45 9.436 -1.246 -5.738 1.00 0.00 C ATOM 310 C ALA A 45 9.260 -2.722 -5.377 1.00 0.00 C ATOM 311 O ALA A 45 8.937 -3.504 -6.272 1.00 0.00 O ATOM 312 CB ALA A 45 8.206 -0.415 -5.368 1.00 0.00 C ATOM 0 H ALA A 45 8.964 -1.911 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 45 10.294 -0.835 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.079 -0.415 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.340 0.609 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.321 -0.846 -5.837 1.00 0.00 H new ATOM 318 N PRO A 46 9.479 -3.143 -4.123 1.00 0.00 N ATOM 319 CA PRO A 46 9.300 -4.530 -3.741 1.00 0.00 C ATOM 320 C PRO A 46 7.832 -4.941 -3.858 1.00 0.00 C ATOM 321 O PRO A 46 6.928 -4.101 -3.929 1.00 0.00 O ATOM 322 CB PRO A 46 9.816 -4.637 -2.302 1.00 0.00 C ATOM 323 CG PRO A 46 9.627 -3.221 -1.761 1.00 0.00 C ATOM 324 CD PRO A 46 9.910 -2.350 -2.986 1.00 0.00 C ATOM 0 HA PRO A 46 9.847 -5.207 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.251 -5.368 -1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.861 -4.945 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.618 -3.065 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.315 -3.005 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.365 -1.407 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.969 -2.102 -3.057 1.00 0.00 H new ATOM 332 N ALA A 47 7.614 -6.260 -3.868 1.00 0.00 N ATOM 333 CA ALA A 47 6.291 -6.847 -3.872 1.00 0.00 C ATOM 334 C ALA A 47 5.595 -6.482 -2.571 1.00 0.00 C ATOM 335 O ALA A 47 6.016 -6.941 -1.509 1.00 0.00 O ATOM 336 CB ALA A 47 6.392 -8.372 -3.995 1.00 0.00 C ATOM 0 H ALA A 47 8.366 -6.949 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 47 5.722 -6.467 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.391 -8.804 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.900 -8.629 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.957 -8.768 -3.151 1.00 0.00 H new ATOM 342 N ILE A 48 4.533 -5.679 -2.647 1.00 0.00 N ATOM 343 CA ILE A 48 3.701 -5.394 -1.486 1.00 0.00 C ATOM 344 C ILE A 48 2.377 -6.147 -1.564 1.00 0.00 C ATOM 345 O ILE A 48 1.596 -6.090 -0.627 1.00 0.00 O ATOM 346 CB ILE A 48 3.638 -3.888 -1.139 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.983 -2.965 -2.171 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.069 -3.389 -0.916 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.453 -3.017 -2.126 1.00 0.00 C ATOM 0 H ILE A 48 4.231 -5.215 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 48 4.183 -5.799 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 48 2.998 -3.835 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.313 -1.941 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.322 -3.244 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.050 -2.327 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.524 -3.944 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.653 -3.540 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.044 -2.343 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.117 -4.034 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.107 -2.711 -1.139 1.00 0.00 H new ATOM 361 N ASP A 49 2.146 -6.944 -2.611 1.00 0.00 N ATOM 362 CA ASP A 49 1.016 -7.864 -2.692 1.00 0.00 C ATOM 363 C ASP A 49 0.825 -8.692 -1.403 1.00 0.00 C ATOM 364 O ASP A 49 -0.300 -8.873 -0.942 1.00 0.00 O ATOM 365 CB ASP A 49 1.146 -8.725 -3.965 1.00 0.00 C ATOM 366 CG ASP A 49 0.942 -10.214 -3.738 1.00 0.00 C ATOM 367 OD1 ASP A 49 -0.223 -10.607 -3.498 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.958 -10.934 -3.779 1.00 0.00 O ATOM 0 H ASP A 49 2.748 -6.966 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 49 0.097 -7.284 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.419 -8.379 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.135 -8.567 -4.396 1.00 0.00 H new ATOM 373 N LYS A 50 1.924 -9.171 -0.810 1.00 0.00 N ATOM 374 CA LYS A 50 1.930 -9.939 0.438 1.00 0.00 C ATOM 375 C LYS A 50 2.250 -9.063 1.652 1.00 0.00 C ATOM 376 O LYS A 50 2.415 -9.579 2.755 1.00 0.00 O ATOM 377 CB LYS A 50 2.827 -11.189 0.338 1.00 0.00 C ATOM 378 CG LYS A 50 1.993 -12.467 0.122 1.00 0.00 C ATOM 379 CD LYS A 50 1.397 -12.470 -1.289 1.00 0.00 C ATOM 380 CE LYS A 50 0.379 -13.580 -1.574 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.929 -13.298 -0.951 1.00 0.00 N ATOM 0 H LYS A 50 2.858 -9.031 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 50 0.916 -10.307 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.530 -11.069 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.417 -11.288 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.619 -13.348 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.195 -12.520 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.917 -11.507 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.212 -12.555 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.252 -13.689 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.762 -14.529 -1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.655 -13.909 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.874 -13.485 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.181 -12.301 -1.108 1.00 0.00 H new ATOM 395 N ALA A 51 2.378 -7.746 1.473 1.00 0.00 N ATOM 396 CA ALA A 51 2.702 -6.841 2.561 1.00 0.00 C ATOM 397 C ALA A 51 1.810 -7.054 3.779 1.00 0.00 C ATOM 398 O ALA A 51 2.338 -7.007 4.878 1.00 0.00 O ATOM 399 CB ALA A 51 2.704 -5.385 2.108 1.00 0.00 C ATOM 0 H ALA A 51 2.259 -7.285 0.571 1.00 0.00 H new ATOM 0 HA ALA A 51 3.718 -7.083 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.951 -4.742 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.445 -5.250 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.717 -5.121 1.727 1.00 0.00 H new ATOM 405 N GLY A 52 0.506 -7.336 3.637 1.00 0.00 N ATOM 406 CA GLY A 52 -0.300 -7.659 4.802 1.00 0.00 C ATOM 407 C GLY A 52 0.206 -8.876 5.590 1.00 0.00 C ATOM 408 O GLY A 52 -0.007 -8.965 6.795 1.00 0.00 O ATOM 0 H GLY A 52 0.006 -7.345 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.326 -6.794 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.325 -7.846 4.482 1.00 0.00 H new ATOM 412 N ALA A 53 0.809 -9.859 4.915 1.00 0.00 N ATOM 413 CA ALA A 53 1.436 -10.996 5.588 1.00 0.00 C ATOM 414 C ALA A 53 2.758 -10.564 6.209 1.00 0.00 C ATOM 415 O ALA A 53 3.088 -10.971 7.320 1.00 0.00 O ATOM 416 CB ALA A 53 1.665 -12.164 4.621 1.00 0.00 C ATOM 0 H ALA A 53 0.875 -9.888 3.898 1.00 0.00 H new ATOM 0 HA ALA A 53 0.761 -11.340 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.132 -12.992 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.709 -12.490 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.317 -11.842 3.809 1.00 0.00 H new ATOM 422 N ASN A 54 3.523 -9.755 5.476 1.00 0.00 N ATOM 423 CA ASN A 54 4.874 -9.395 5.886 1.00 0.00 C ATOM 424 C ASN A 54 4.843 -8.404 7.051 1.00 0.00 C ATOM 425 O ASN A 54 5.731 -8.439 7.900 1.00 0.00 O ATOM 426 CB ASN A 54 5.651 -8.784 4.711 1.00 0.00 C ATOM 427 CG ASN A 54 5.737 -9.689 3.482 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.534 -10.896 3.557 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.039 -9.109 2.323 1.00 0.00 N ATOM 0 H ASN A 54 3.226 -9.337 4.594 1.00 0.00 H new ATOM 0 HA ASN A 54 5.377 -10.306 6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.177 -7.845 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.661 -8.543 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.106 -9.670 1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.204 -8.103 2.284 1.00 0.00 H new ATOM 436 N TYR A 55 3.855 -7.503 7.063 1.00 0.00 N ATOM 437 CA TYR A 55 3.758 -6.353 7.956 1.00 0.00 C ATOM 438 C TYR A 55 2.290 -6.161 8.351 1.00 0.00 C ATOM 439 O TYR A 55 1.394 -6.523 7.591 1.00 0.00 O ATOM 440 CB TYR A 55 4.263 -5.084 7.247 1.00 0.00 C ATOM 441 CG TYR A 55 5.469 -5.249 6.341 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.695 -5.696 6.865 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.361 -4.967 4.966 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.776 -5.948 6.003 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.459 -5.169 4.112 1.00 0.00 C ATOM 446 CZ TYR A 55 7.667 -5.662 4.632 1.00 0.00 C ATOM 447 OH TYR A 55 8.717 -5.921 3.807 1.00 0.00 O ATOM 0 H TYR A 55 3.066 -7.562 6.419 1.00 0.00 H new ATOM 0 HA TYR A 55 4.370 -6.529 8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.444 -4.676 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.507 -4.342 8.008 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.806 -5.846 7.929 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.430 -4.594 4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.693 -6.363 6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.374 -4.946 3.059 1.00 0.00 H new ATOM 0 HH TYR A 55 8.482 -5.668 2.890 1.00 0.00 H new ATOM 457 N SER A 56 2.027 -5.578 9.520 1.00 0.00 N ATOM 458 CA SER A 56 0.674 -5.351 10.005 1.00 0.00 C ATOM 459 C SER A 56 0.073 -4.100 9.360 1.00 0.00 C ATOM 460 O SER A 56 0.796 -3.260 8.820 1.00 0.00 O ATOM 461 CB SER A 56 0.692 -5.232 11.532 1.00 0.00 C ATOM 462 OG SER A 56 -0.633 -5.301 12.028 1.00 0.00 O ATOM 0 H SER A 56 2.753 -5.250 10.157 1.00 0.00 H new ATOM 0 HA SER A 56 0.046 -6.197 9.728 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.295 -6.032 11.962 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.154 -4.290 11.828 1.00 0.00 H new ATOM 0 HG SER A 56 -0.621 -5.227 13.005 1.00 0.00 H new ATOM 468 N GLU A 57 -1.254 -3.952 9.446 1.00 0.00 N ATOM 469 CA GLU A 57 -1.946 -2.804 8.877 1.00 0.00 C ATOM 470 C GLU A 57 -1.312 -1.506 9.387 1.00 0.00 C ATOM 471 O GLU A 57 -1.026 -0.625 8.586 1.00 0.00 O ATOM 472 CB GLU A 57 -3.473 -2.864 9.087 1.00 0.00 C ATOM 473 CG GLU A 57 -3.924 -3.082 10.536 1.00 0.00 C ATOM 474 CD GLU A 57 -5.431 -2.890 10.656 1.00 0.00 C ATOM 475 OE1 GLU A 57 -6.146 -3.498 9.829 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.840 -2.127 11.556 1.00 0.00 O ATOM 0 H GLU A 57 -1.868 -4.622 9.909 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.819 -2.829 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.911 -1.934 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.877 -3.669 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.651 -4.086 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.408 -2.383 11.194 1.00 0.00 H new ATOM 483 N GLU A 58 -1.026 -1.403 10.688 1.00 0.00 N ATOM 484 CA GLU A 58 -0.388 -0.232 11.279 1.00 0.00 C ATOM 485 C GLU A 58 0.935 0.130 10.585 1.00 0.00 C ATOM 486 O GLU A 58 1.181 1.296 10.280 1.00 0.00 O ATOM 487 CB GLU A 58 -0.233 -0.420 12.797 1.00 0.00 C ATOM 488 CG GLU A 58 0.415 -1.745 13.226 1.00 0.00 C ATOM 489 CD GLU A 58 0.583 -1.794 14.739 1.00 0.00 C ATOM 490 OE1 GLU A 58 -0.453 -1.969 15.416 1.00 0.00 O ATOM 491 OE2 GLU A 58 1.735 -1.636 15.192 1.00 0.00 O ATOM 0 H GLU A 58 -1.234 -2.139 11.363 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.040 0.626 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.364 0.403 13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.218 -0.349 13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.201 -2.581 12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.386 -1.854 12.743 1.00 0.00 H new ATOM 498 N GLU A 59 1.782 -0.861 10.305 1.00 0.00 N ATOM 499 CA GLU A 59 3.066 -0.646 9.652 1.00 0.00 C ATOM 500 C GLU A 59 2.846 -0.078 8.249 1.00 0.00 C ATOM 501 O GLU A 59 3.436 0.931 7.862 1.00 0.00 O ATOM 502 CB GLU A 59 3.824 -1.978 9.589 1.00 0.00 C ATOM 503 CG GLU A 59 4.166 -2.517 10.982 1.00 0.00 C ATOM 504 CD GLU A 59 4.886 -3.851 10.873 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.114 -3.823 10.648 1.00 0.00 O ATOM 506 OE2 GLU A 59 4.177 -4.875 10.965 1.00 0.00 O ATOM 0 H GLU A 59 1.592 -1.838 10.527 1.00 0.00 H new ATOM 0 HA GLU A 59 3.658 0.072 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.221 -2.712 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.743 -1.844 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.793 -1.800 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.254 -2.636 11.567 1.00 0.00 H new ATOM 513 N ILE A 60 1.977 -0.735 7.478 1.00 0.00 N ATOM 514 CA ILE A 60 1.707 -0.354 6.099 1.00 0.00 C ATOM 515 C ILE A 60 1.112 1.056 6.106 1.00 0.00 C ATOM 516 O ILE A 60 1.564 1.924 5.367 1.00 0.00 O ATOM 517 CB ILE A 60 0.776 -1.376 5.420 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.340 -2.801 5.519 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.545 -1.057 3.937 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.355 -3.849 5.002 1.00 0.00 C ATOM 0 H ILE A 60 1.444 -1.544 7.796 1.00 0.00 H new ATOM 0 HA ILE A 60 2.628 -0.350 5.516 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.173 -1.311 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.267 -2.863 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.589 -3.020 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.118 -1.806 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.089 -0.071 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.499 -1.067 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.798 -4.841 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.563 -3.807 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.126 -3.648 3.956 1.00 0.00 H new ATOM 532 N LEU A 61 0.117 1.285 6.962 1.00 0.00 N ATOM 533 CA LEU A 61 -0.524 2.568 7.191 1.00 0.00 C ATOM 534 C LEU A 61 0.527 3.643 7.397 1.00 0.00 C ATOM 535 O LEU A 61 0.545 4.638 6.670 1.00 0.00 O ATOM 536 CB LEU A 61 -1.421 2.470 8.432 1.00 0.00 C ATOM 537 CG LEU A 61 -2.231 3.734 8.745 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.273 4.005 7.661 1.00 0.00 C ATOM 539 CD2 LEU A 61 -2.934 3.573 10.095 1.00 0.00 C ATOM 0 H LEU A 61 -0.279 0.543 7.539 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.129 2.831 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.112 1.637 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.798 2.232 9.295 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.543 4.578 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.831 4.907 7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.773 4.141 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.959 3.160 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.509 4.472 10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.604 2.714 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.190 3.417 10.876 1.00 0.00 H new ATOM 551 N ASP A 62 1.404 3.438 8.384 1.00 0.00 N ATOM 552 CA ASP A 62 2.430 4.420 8.675 1.00 0.00 C ATOM 553 C ASP A 62 3.247 4.668 7.416 1.00 0.00 C ATOM 554 O ASP A 62 3.403 5.808 6.990 1.00 0.00 O ATOM 555 CB ASP A 62 3.331 3.982 9.829 1.00 0.00 C ATOM 556 CG ASP A 62 4.340 5.086 10.112 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.936 6.081 10.757 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.473 4.961 9.602 1.00 0.00 O ATOM 0 H ASP A 62 1.418 2.612 8.982 1.00 0.00 H new ATOM 0 HA ASP A 62 1.946 5.345 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.734 3.780 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.847 3.056 9.574 1.00 0.00 H new ATOM 563 N ILE A 63 3.694 3.599 6.763 1.00 0.00 N ATOM 564 CA ILE A 63 4.559 3.710 5.597 1.00 0.00 C ATOM 565 C ILE A 63 3.868 4.514 4.493 1.00 0.00 C ATOM 566 O ILE A 63 4.480 5.382 3.876 1.00 0.00 O ATOM 567 CB ILE A 63 4.975 2.298 5.153 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.122 1.808 6.052 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.367 2.254 3.673 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.334 0.294 5.969 1.00 0.00 C ATOM 0 H ILE A 63 3.468 2.640 7.026 1.00 0.00 H new ATOM 0 HA ILE A 63 5.467 4.260 5.842 1.00 0.00 H new ATOM 0 HB ILE A 63 4.120 1.631 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.043 2.316 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.912 2.085 7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.654 1.238 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.520 2.567 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.207 2.926 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.156 0.005 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.424 -0.218 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.573 0.016 4.943 1.00 0.00 H new ATOM 582 N ILE A 64 2.588 4.253 4.241 1.00 0.00 N ATOM 583 CA ILE A 64 1.802 4.985 3.263 1.00 0.00 C ATOM 584 C ILE A 64 1.749 6.461 3.651 1.00 0.00 C ATOM 585 O ILE A 64 2.013 7.337 2.827 1.00 0.00 O ATOM 586 CB ILE A 64 0.400 4.371 3.181 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.492 2.959 2.587 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.527 5.231 2.316 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.744 2.139 2.958 1.00 0.00 C ATOM 0 H ILE A 64 2.065 3.518 4.718 1.00 0.00 H new ATOM 0 HA ILE A 64 2.262 4.915 2.278 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.014 4.324 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.583 3.020 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.389 2.461 2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.515 4.773 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.607 6.228 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.119 5.305 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.661 1.141 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.817 2.062 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.636 2.629 2.568 1.00 0.00 H new ATOM 601 N LEU A 65 1.397 6.740 4.906 1.00 0.00 N ATOM 602 CA LEU A 65 1.288 8.097 5.407 1.00 0.00 C ATOM 603 C LEU A 65 2.641 8.828 5.351 1.00 0.00 C ATOM 604 O LEU A 65 2.652 10.041 5.117 1.00 0.00 O ATOM 605 CB LEU A 65 0.741 8.077 6.842 1.00 0.00 C ATOM 606 CG LEU A 65 -0.700 7.553 7.019 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.948 7.268 8.503 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.717 8.587 6.560 1.00 0.00 C ATOM 0 H LEU A 65 1.180 6.025 5.600 1.00 0.00 H new ATOM 0 HA LEU A 65 0.596 8.645 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.405 7.465 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.787 9.091 7.240 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.812 6.649 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.964 6.897 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.239 6.518 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.818 8.186 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.724 8.192 6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.602 9.497 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.555 8.814 5.506 1.00 0.00 H new ATOM 620 N ASN A 66 3.748 8.112 5.590 1.00 0.00 N ATOM 621 CA ASN A 66 5.092 8.635 5.847 1.00 0.00 C ATOM 622 C ASN A 66 6.006 8.527 4.626 1.00 0.00 C ATOM 623 O ASN A 66 6.466 9.548 4.121 1.00 0.00 O ATOM 624 CB ASN A 66 5.762 7.872 7.004 1.00 0.00 C ATOM 625 CG ASN A 66 5.267 8.279 8.387 1.00 0.00 C ATOM 626 OD1 ASN A 66 5.950 9.000 9.110 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.089 7.803 8.764 1.00 0.00 N ATOM 0 H ASN A 66 3.725 7.092 5.610 1.00 0.00 H new ATOM 0 HA ASN A 66 4.960 9.687 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.591 6.804 6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.839 8.031 6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.718 8.032 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.554 7.207 8.132 1.00 0.00 H new ATOM 634 N GLY A 67 6.326 7.300 4.202 1.00 0.00 N ATOM 635 CA GLY A 67 7.330 6.977 3.196 1.00 0.00 C ATOM 636 C GLY A 67 8.073 5.674 3.535 1.00 0.00 C ATOM 637 O GLY A 67 7.767 5.009 4.523 1.00 0.00 O ATOM 0 H GLY A 67 5.867 6.468 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.851 6.880 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.046 7.795 3.120 1.00 0.00 H new ATOM 641 N GLN A 68 9.058 5.331 2.699 1.00 0.00 N ATOM 642 CA GLN A 68 10.087 4.287 2.831 1.00 0.00 C ATOM 643 C GLN A 68 11.221 4.769 1.893 1.00 0.00 C ATOM 644 O GLN A 68 10.998 5.723 1.149 1.00 0.00 O ATOM 645 CB GLN A 68 9.525 2.872 2.469 1.00 0.00 C ATOM 646 CG GLN A 68 10.539 1.741 2.295 1.00 0.00 C ATOM 647 CD GLN A 68 11.369 1.401 3.518 1.00 0.00 C ATOM 648 OE1 GLN A 68 12.069 2.259 4.047 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.350 0.137 3.923 1.00 0.00 N ATOM 0 H GLN A 68 9.168 5.831 1.817 1.00 0.00 H new ATOM 0 HA GLN A 68 10.446 4.159 3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.822 2.578 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.956 2.961 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.004 0.844 1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.216 2.008 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.751 -0.541 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.934 -0.157 4.706 1.00 0.00 H new ATOM 658 N GLY A 69 12.407 4.146 1.915 1.00 0.00 N ATOM 659 CA GLY A 69 13.562 4.411 1.042 1.00 0.00 C ATOM 660 C GLY A 69 13.316 5.357 -0.149 1.00 0.00 C ATOM 661 O GLY A 69 13.441 6.570 0.006 1.00 0.00 O ATOM 0 H GLY A 69 12.599 3.399 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.362 4.830 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.923 3.459 0.653 1.00 0.00 H new ATOM 665 N GLY A 70 12.966 4.826 -1.328 1.00 0.00 N ATOM 666 CA GLY A 70 12.538 5.601 -2.489 1.00 0.00 C ATOM 667 C GLY A 70 11.021 5.517 -2.674 1.00 0.00 C ATOM 668 O GLY A 70 10.527 5.377 -3.792 1.00 0.00 O ATOM 0 H GLY A 70 12.975 3.821 -1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.836 6.642 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.038 5.230 -3.383 1.00 0.00 H new ATOM 672 N MET A 71 10.277 5.605 -1.571 1.00 0.00 N ATOM 673 CA MET A 71 8.826 5.502 -1.506 1.00 0.00 C ATOM 674 C MET A 71 8.333 6.856 -1.009 1.00 0.00 C ATOM 675 O MET A 71 8.552 7.174 0.160 1.00 0.00 O ATOM 676 CB MET A 71 8.521 4.381 -0.517 1.00 0.00 C ATOM 677 CG MET A 71 7.105 4.193 0.035 1.00 0.00 C ATOM 678 SD MET A 71 5.695 4.157 -1.077 1.00 0.00 S ATOM 679 CE MET A 71 4.361 4.343 0.138 1.00 0.00 C ATOM 0 H MET A 71 10.696 5.758 -0.654 1.00 0.00 H new ATOM 0 HA MET A 71 8.343 5.273 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.806 3.444 -0.995 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.184 4.517 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.099 3.257 0.594 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.929 4.995 0.752 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.399 4.342 -0.375 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.395 3.515 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.486 5.284 0.674 1.00 0.00 H new ATOM 689 N PRO A 72 7.718 7.672 -1.878 1.00 0.00 N ATOM 690 CA PRO A 72 7.530 9.098 -1.647 1.00 0.00 C ATOM 691 C PRO A 72 6.706 9.386 -0.396 1.00 0.00 C ATOM 692 O PRO A 72 6.972 10.356 0.309 1.00 0.00 O ATOM 693 CB PRO A 72 6.879 9.650 -2.921 1.00 0.00 C ATOM 694 CG PRO A 72 6.245 8.416 -3.564 1.00 0.00 C ATOM 695 CD PRO A 72 7.214 7.301 -3.188 1.00 0.00 C ATOM 0 HA PRO A 72 8.484 9.589 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.133 10.411 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.615 10.112 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.243 8.228 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.154 8.525 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.712 6.334 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.023 7.219 -3.914 1.00 0.00 H new ATOM 703 N GLY A 73 5.710 8.541 -0.124 1.00 0.00 N ATOM 704 CA GLY A 73 4.879 8.678 1.053 1.00 0.00 C ATOM 705 C GLY A 73 3.832 9.771 0.873 1.00 0.00 C ATOM 706 O GLY A 73 3.900 10.602 -0.029 1.00 0.00 O ATOM 0 H GLY A 73 5.465 7.748 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.384 7.730 1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.504 8.909 1.916 1.00 0.00 H new ATOM 710 N GLY A 74 2.799 9.721 1.711 1.00 0.00 N ATOM 711 CA GLY A 74 1.675 10.638 1.658 1.00 0.00 C ATOM 712 C GLY A 74 0.854 10.509 0.375 1.00 0.00 C ATOM 713 O GLY A 74 0.010 11.359 0.108 1.00 0.00 O ATOM 0 H GLY A 74 2.723 9.029 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.027 10.459 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.044 11.660 1.745 1.00 0.00 H new ATOM 717 N ILE A 75 1.052 9.427 -0.385 1.00 0.00 N ATOM 718 CA ILE A 75 0.275 9.119 -1.576 1.00 0.00 C ATOM 719 C ILE A 75 -1.201 8.970 -1.202 1.00 0.00 C ATOM 720 O ILE A 75 -2.095 9.296 -1.988 1.00 0.00 O ATOM 721 CB ILE A 75 0.838 7.837 -2.223 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.295 7.998 -2.698 1.00 0.00 C ATOM 723 CG2 ILE A 75 -0.045 7.361 -3.382 1.00 0.00 C ATOM 724 CD1 ILE A 75 2.477 9.077 -3.772 1.00 0.00 C ATOM 0 H ILE A 75 1.771 8.733 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 75 0.349 9.928 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 75 0.833 7.078 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.923 8.242 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.648 7.044 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.380 6.456 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.048 7.149 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.096 8.139 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.528 9.133 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.877 8.825 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.156 10.041 -3.377 1.00 0.00 H new ATOM 736 N ALA A 76 -1.456 8.477 0.011 1.00 0.00 N ATOM 737 CA ALA A 76 -2.775 8.351 0.586 1.00 0.00 C ATOM 738 C ALA A 76 -2.653 8.878 2.013 1.00 0.00 C ATOM 739 O ALA A 76 -1.614 8.687 2.647 1.00 0.00 O ATOM 740 CB ALA A 76 -3.184 6.878 0.511 1.00 0.00 C ATOM 0 H ALA A 76 -0.718 8.146 0.632 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.549 8.916 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.179 6.754 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.195 6.556 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.470 6.273 1.070 1.00 0.00 H new ATOM 746 N LYS A 77 -3.673 9.595 2.490 1.00 0.00 N ATOM 747 CA LYS A 77 -3.749 10.159 3.826 1.00 0.00 C ATOM 748 C LYS A 77 -5.186 9.961 4.319 1.00 0.00 C ATOM 749 O LYS A 77 -6.106 9.847 3.506 1.00 0.00 O ATOM 750 CB LYS A 77 -3.336 11.643 3.801 1.00 0.00 C ATOM 751 CG LYS A 77 -1.815 11.918 3.774 1.00 0.00 C ATOM 752 CD LYS A 77 -1.162 11.873 5.171 1.00 0.00 C ATOM 753 CE LYS A 77 0.074 12.774 5.338 1.00 0.00 C ATOM 754 NZ LYS A 77 1.272 12.290 4.618 1.00 0.00 N ATOM 0 H LYS A 77 -4.498 9.803 1.928 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.061 9.663 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.786 12.111 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.759 12.133 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.331 11.183 3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.638 12.897 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.906 12.161 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.876 10.844 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.169 13.776 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.309 12.858 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.087 12.889 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.471 11.308 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.102 12.332 3.593 1.00 0.00 H new ATOM 768 N GLY A 78 -5.369 9.900 5.641 1.00 0.00 N ATOM 769 CA GLY A 78 -6.664 9.660 6.261 1.00 0.00 C ATOM 770 C GLY A 78 -7.318 8.391 5.709 1.00 0.00 C ATOM 771 O GLY A 78 -6.622 7.408 5.434 1.00 0.00 O ATOM 0 H GLY A 78 -4.611 10.018 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.542 9.569 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.318 10.514 6.086 1.00 0.00 H new ATOM 775 N ALA A 79 -8.638 8.459 5.485 1.00 0.00 N ATOM 776 CA ALA A 79 -9.481 7.386 4.966 1.00 0.00 C ATOM 777 C ALA A 79 -8.795 6.591 3.857 1.00 0.00 C ATOM 778 O ALA A 79 -8.904 5.369 3.811 1.00 0.00 O ATOM 779 CB ALA A 79 -10.800 7.970 4.453 1.00 0.00 C ATOM 0 H ALA A 79 -9.168 9.310 5.672 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.673 6.694 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.427 7.167 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.317 8.473 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.596 8.686 3.657 1.00 0.00 H new ATOM 785 N GLU A 80 -8.093 7.288 2.963 1.00 0.00 N ATOM 786 CA GLU A 80 -7.364 6.678 1.869 1.00 0.00 C ATOM 787 C GLU A 80 -6.347 5.659 2.416 1.00 0.00 C ATOM 788 O GLU A 80 -6.376 4.484 2.052 1.00 0.00 O ATOM 789 CB GLU A 80 -6.738 7.806 1.030 1.00 0.00 C ATOM 790 CG GLU A 80 -6.434 7.407 -0.425 1.00 0.00 C ATOM 791 CD GLU A 80 -7.214 8.219 -1.450 1.00 0.00 C ATOM 792 OE1 GLU A 80 -8.436 8.383 -1.261 1.00 0.00 O ATOM 793 OE2 GLU A 80 -6.550 8.684 -2.404 1.00 0.00 O ATOM 0 H GLU A 80 -8.019 8.305 2.985 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.020 6.106 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.413 8.662 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.814 8.131 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.367 7.528 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.663 6.350 -0.559 1.00 0.00 H new ATOM 800 N ALA A 81 -5.455 6.093 3.315 1.00 0.00 N ATOM 801 CA ALA A 81 -4.426 5.233 3.871 1.00 0.00 C ATOM 802 C ALA A 81 -5.045 4.173 4.783 1.00 0.00 C ATOM 803 O ALA A 81 -4.628 3.018 4.752 1.00 0.00 O ATOM 804 CB ALA A 81 -3.402 6.085 4.620 1.00 0.00 C ATOM 0 H ALA A 81 -5.434 7.049 3.671 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.916 4.708 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.629 5.441 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.948 6.797 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.898 6.626 5.426 1.00 0.00 H new ATOM 810 N GLU A 82 -6.038 4.564 5.589 1.00 0.00 N ATOM 811 CA GLU A 82 -6.768 3.658 6.470 1.00 0.00 C ATOM 812 C GLU A 82 -7.324 2.479 5.661 1.00 0.00 C ATOM 813 O GLU A 82 -7.036 1.314 5.946 1.00 0.00 O ATOM 814 CB GLU A 82 -7.892 4.436 7.166 1.00 0.00 C ATOM 815 CG GLU A 82 -7.361 5.553 8.081 1.00 0.00 C ATOM 816 CD GLU A 82 -8.428 6.603 8.369 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.614 6.214 8.427 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.042 7.787 8.484 1.00 0.00 O ATOM 0 H GLU A 82 -6.358 5.531 5.645 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.100 3.254 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.549 4.871 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.496 3.746 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.014 5.120 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.500 6.029 7.612 1.00 0.00 H new ATOM 825 N ALA A 83 -8.109 2.807 4.629 1.00 0.00 N ATOM 826 CA ALA A 83 -8.709 1.843 3.727 1.00 0.00 C ATOM 827 C ALA A 83 -7.626 0.944 3.138 1.00 0.00 C ATOM 828 O ALA A 83 -7.740 -0.278 3.242 1.00 0.00 O ATOM 829 CB ALA A 83 -9.503 2.565 2.634 1.00 0.00 C ATOM 0 H ALA A 83 -8.344 3.773 4.401 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.407 1.212 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.949 1.831 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.291 3.164 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.835 3.215 2.069 1.00 0.00 H new ATOM 835 N VAL A 84 -6.580 1.546 2.550 1.00 0.00 N ATOM 836 CA VAL A 84 -5.455 0.783 2.021 1.00 0.00 C ATOM 837 C VAL A 84 -4.976 -0.226 3.066 1.00 0.00 C ATOM 838 O VAL A 84 -5.011 -1.421 2.817 1.00 0.00 O ATOM 839 CB VAL A 84 -4.280 1.678 1.589 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.103 0.792 1.163 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.591 2.612 0.415 1.00 0.00 C ATOM 0 H VAL A 84 -6.497 2.556 2.433 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.811 0.265 1.130 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.054 2.301 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.267 1.420 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.797 0.166 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.407 0.159 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.708 3.205 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.875 2.020 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.412 3.276 0.686 1.00 0.00 H new ATOM 851 N ALA A 85 -4.492 0.249 4.213 1.00 0.00 N ATOM 852 CA ALA A 85 -3.841 -0.581 5.216 1.00 0.00 C ATOM 853 C ALA A 85 -4.682 -1.808 5.569 1.00 0.00 C ATOM 854 O ALA A 85 -4.205 -2.941 5.458 1.00 0.00 O ATOM 855 CB ALA A 85 -3.570 0.278 6.447 1.00 0.00 C ATOM 0 H ALA A 85 -4.544 1.234 4.471 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.901 -0.960 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.082 -0.326 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.922 1.111 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.512 0.664 6.836 1.00 0.00 H new ATOM 861 N ALA A 86 -5.935 -1.581 5.974 1.00 0.00 N ATOM 862 CA ALA A 86 -6.830 -2.656 6.382 1.00 0.00 C ATOM 863 C ALA A 86 -7.010 -3.671 5.252 1.00 0.00 C ATOM 864 O ALA A 86 -6.796 -4.872 5.426 1.00 0.00 O ATOM 865 CB ALA A 86 -8.176 -2.064 6.809 1.00 0.00 C ATOM 0 H ALA A 86 -6.351 -0.651 6.026 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.392 -3.184 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.846 -2.867 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.024 -1.381 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.617 -1.522 5.972 1.00 0.00 H new ATOM 871 N TRP A 87 -7.390 -3.180 4.071 1.00 0.00 N ATOM 872 CA TRP A 87 -7.553 -4.013 2.890 1.00 0.00 C ATOM 873 C TRP A 87 -6.271 -4.811 2.621 1.00 0.00 C ATOM 874 O TRP A 87 -6.316 -6.009 2.382 1.00 0.00 O ATOM 875 CB TRP A 87 -7.930 -3.097 1.726 1.00 0.00 C ATOM 876 CG TRP A 87 -7.719 -3.631 0.348 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.540 -4.394 -0.405 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.603 -3.315 -0.511 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.852 -4.816 -1.531 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.641 -4.161 -1.647 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.522 -2.427 -0.416 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.560 -4.180 -2.542 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.697 -2.214 -1.517 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.658 -3.135 -2.556 1.00 0.00 C ATOM 0 H TRP A 87 -7.592 -2.193 3.912 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.345 -4.749 3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.982 -2.833 1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.359 -2.174 1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.566 -4.636 -0.168 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.194 -5.518 -2.188 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.329 -1.908 0.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.434 -5.012 -3.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.083 -1.327 -1.564 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.939 -3.036 -3.356 1.00 0.00 H new ATOM 895 N LEU A 88 -5.106 -4.174 2.683 1.00 0.00 N ATOM 896 CA LEU A 88 -3.841 -4.832 2.400 1.00 0.00 C ATOM 897 C LEU A 88 -3.559 -5.955 3.396 1.00 0.00 C ATOM 898 O LEU A 88 -3.214 -7.070 3.004 1.00 0.00 O ATOM 899 CB LEU A 88 -2.716 -3.798 2.340 1.00 0.00 C ATOM 900 CG LEU A 88 -1.854 -3.970 1.089 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.974 -5.206 1.135 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.537 -3.809 -0.244 1.00 0.00 C ATOM 0 H LEU A 88 -5.015 -3.189 2.931 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.902 -5.309 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.143 -2.795 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.090 -3.889 3.228 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.209 -3.093 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.388 -5.270 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.302 -5.143 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.599 -6.094 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.812 -3.956 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.334 -4.547 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.960 -2.807 -0.317 1.00 0.00 H new ATOM 914 N ALA A 89 -3.766 -5.678 4.683 1.00 0.00 N ATOM 915 CA ALA A 89 -3.705 -6.676 5.745 1.00 0.00 C ATOM 916 C ALA A 89 -4.624 -7.864 5.455 1.00 0.00 C ATOM 917 O ALA A 89 -4.315 -8.996 5.820 1.00 0.00 O ATOM 918 CB ALA A 89 -4.007 -6.035 7.095 1.00 0.00 C ATOM 0 H ALA A 89 -3.984 -4.740 5.020 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.690 -7.072 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.958 -6.793 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.274 -5.254 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.006 -5.599 7.075 1.00 0.00 H new ATOM 924 N GLU A 90 -5.738 -7.615 4.770 1.00 0.00 N ATOM 925 CA GLU A 90 -6.672 -8.636 4.330 1.00 0.00 C ATOM 926 C GLU A 90 -6.213 -9.317 3.022 1.00 0.00 C ATOM 927 O GLU A 90 -6.489 -10.500 2.820 1.00 0.00 O ATOM 928 CB GLU A 90 -8.056 -7.967 4.283 1.00 0.00 C ATOM 929 CG GLU A 90 -9.212 -8.917 3.928 1.00 0.00 C ATOM 930 CD GLU A 90 -9.574 -8.920 2.443 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.715 -8.528 1.626 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.727 -9.308 2.156 1.00 0.00 O ATOM 0 H GLU A 90 -6.019 -6.672 4.501 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.721 -9.476 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.260 -7.514 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.030 -7.158 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.943 -9.930 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.092 -8.636 4.506 1.00 0.00 H new ATOM 939 N LYS A 91 -5.433 -8.627 2.178 1.00 0.00 N ATOM 940 CA LYS A 91 -5.159 -9.004 0.790 1.00 0.00 C ATOM 941 C LYS A 91 -4.218 -10.208 0.727 1.00 0.00 C ATOM 942 O LYS A 91 -4.239 -11.022 -0.198 1.00 0.00 O ATOM 943 CB LYS A 91 -4.505 -7.776 0.137 1.00 0.00 C ATOM 944 CG LYS A 91 -4.511 -7.723 -1.393 1.00 0.00 C ATOM 945 CD LYS A 91 -3.678 -8.816 -2.081 1.00 0.00 C ATOM 946 CE LYS A 91 -2.723 -8.179 -3.085 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.243 -9.125 -4.114 1.00 0.00 N ATOM 0 H LYS A 91 -4.962 -7.765 2.454 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.074 -9.293 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.009 -6.884 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.470 -7.722 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.541 -7.799 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.138 -6.749 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.116 -9.380 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.335 -9.523 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.225 -7.344 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.866 -7.768 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.814 -8.595 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.534 -9.761 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.043 -9.685 -4.471 1.00 0.00 H new ATOM 961 N LYS A 92 -3.343 -10.246 1.720 1.00 0.00 N ATOM 962 CA LYS A 92 -2.116 -11.005 1.810 1.00 0.00 C ATOM 963 C LYS A 92 -2.357 -12.507 1.941 1.00 0.00 C ATOM 964 O LYS A 92 -3.451 -12.897 2.400 1.00 0.00 O ATOM 965 CB LYS A 92 -1.431 -10.469 3.045 1.00 0.00 C ATOM 966 CG LYS A 92 -2.296 -10.631 4.323 1.00 0.00 C ATOM 967 CD LYS A 92 -2.081 -11.931 5.113 1.00 0.00 C ATOM 968 CE LYS A 92 -3.404 -12.380 5.753 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.304 -12.992 4.754 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.415 -13.253 1.594 1.00 0.00 O ATOM 0 H LYS A 92 -3.494 -9.690 2.562 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.520 -10.893 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.482 -10.988 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.199 -9.414 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.095 -9.788 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.346 -10.570 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.704 -12.711 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.327 -11.777 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.201 -13.096 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.897 -11.524 6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.290 -12.753 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.070 -12.629 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.186 -14.025 4.767 1.00 0.00 H new