USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 50 GLN : amide:sc= -0.372 X(o=-5.3,f=-5.8) USER MOD Set 1.2: A 81 MET CE :methyl -135:sc= -4.96! (180deg=-10.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0252) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.5 F(o=-1.5,f=-0.5) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= -0.295 (180deg=-1.76!) USER MOD Single : A 18 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -110:sc= -1.79! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -169:sc= 0 (180deg=-0.119) USER MOD Single : A 47 MET CE :methyl 134:sc= -0.369 (180deg=-0.72) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.1 F(o=-1.5,f=-0.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 58 GLN : amide:sc= -0.0941 X(o=-0.094,f=-0.088) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -81:sc= 0.299 USER MOD Single : A 80 MET CE :methyl -120:sc= -1.35 (180deg=-4.72!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -46:sc= 0.0312 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 90.161 8.099 -2.789 1.00 0.00 N ATOM 2 CA MET A 1 89.266 7.993 -1.601 1.00 0.00 C ATOM 3 C MET A 1 88.776 6.552 -1.434 1.00 0.00 C ATOM 4 O MET A 1 88.263 5.951 -2.357 1.00 0.00 O ATOM 5 CB MET A 1 88.094 8.926 -1.904 1.00 0.00 C ATOM 6 CG MET A 1 88.037 10.036 -0.851 1.00 0.00 C ATOM 7 SD MET A 1 86.420 10.847 -0.917 1.00 0.00 S ATOM 8 CE MET A 1 86.841 12.098 -2.155 1.00 0.00 C ATOM 0 H1 MET A 1 90.487 9.081 -2.892 1.00 0.00 H new ATOM 0 H2 MET A 1 90.982 7.473 -2.662 1.00 0.00 H new ATOM 0 H3 MET A 1 89.639 7.816 -3.643 1.00 0.00 H new ATOM 0 HA MET A 1 89.774 8.264 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.208 9.359 -2.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.160 8.364 -1.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 88.207 9.619 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 88.828 10.764 -1.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 85.970 12.723 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 87.656 12.719 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 87.151 11.607 -3.077 1.00 0.00 H new ATOM 20 N ASP A 2 88.930 5.994 -0.265 1.00 0.00 N ATOM 21 CA ASP A 2 88.472 4.593 -0.042 1.00 0.00 C ATOM 22 C ASP A 2 87.033 4.584 0.482 1.00 0.00 C ATOM 23 O ASP A 2 86.635 5.443 1.243 1.00 0.00 O ATOM 24 CB ASP A 2 89.428 4.024 1.008 1.00 0.00 C ATOM 25 CG ASP A 2 90.240 2.883 0.393 1.00 0.00 C ATOM 26 OD1 ASP A 2 89.637 2.009 -0.207 1.00 0.00 O ATOM 27 OD2 ASP A 2 91.452 2.903 0.534 1.00 0.00 O ATOM 0 H ASP A 2 89.353 6.447 0.545 1.00 0.00 H new ATOM 0 HA ASP A 2 88.480 4.006 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 90.096 4.806 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.866 3.662 1.869 1.00 0.00 H new ATOM 32 N ASP A 3 86.251 3.619 0.080 1.00 0.00 N ATOM 33 CA ASP A 3 84.839 3.558 0.556 1.00 0.00 C ATOM 34 C ASP A 3 84.592 2.247 1.309 1.00 0.00 C ATOM 35 O ASP A 3 85.057 1.196 0.914 1.00 0.00 O ATOM 36 CB ASP A 3 83.989 3.615 -0.714 1.00 0.00 C ATOM 37 CG ASP A 3 84.054 5.023 -1.309 1.00 0.00 C ATOM 38 OD1 ASP A 3 84.987 5.740 -0.986 1.00 0.00 O ATOM 39 OD2 ASP A 3 83.170 5.360 -2.080 1.00 0.00 O ATOM 0 H ASP A 3 86.528 2.871 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 3 84.599 4.370 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 3 84.350 2.885 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 3 82.956 3.353 -0.485 1.00 0.00 H new ATOM 44 N ILE A 4 83.863 2.301 2.391 1.00 0.00 N ATOM 45 CA ILE A 4 83.587 1.059 3.167 1.00 0.00 C ATOM 46 C ILE A 4 82.234 0.469 2.759 1.00 0.00 C ATOM 47 O ILE A 4 82.051 -0.732 2.736 1.00 0.00 O ATOM 48 CB ILE A 4 83.556 1.503 4.630 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.311 2.362 4.872 1.00 0.00 C ATOM 50 CG2 ILE A 4 84.808 2.324 4.941 1.00 0.00 C ATOM 51 CD1 ILE A 4 82.244 2.758 6.348 1.00 0.00 C ATOM 0 H ILE A 4 83.447 3.151 2.771 1.00 0.00 H new ATOM 0 HA ILE A 4 84.337 0.288 2.990 1.00 0.00 H new ATOM 0 HB ILE A 4 83.527 0.626 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 4 82.344 3.254 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.414 1.809 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 4 84.786 2.640 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 4 85.695 1.715 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.837 3.202 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 4 81.358 3.369 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 4 82.191 1.860 6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 4 83.135 3.327 6.613 1.00 0.00 H new ATOM 63 N TYR A 5 81.286 1.305 2.436 1.00 0.00 N ATOM 64 CA TYR A 5 79.947 0.792 2.030 1.00 0.00 C ATOM 65 C TYR A 5 80.049 0.039 0.701 1.00 0.00 C ATOM 66 O TYR A 5 79.125 -0.630 0.283 1.00 0.00 O ATOM 67 CB TYR A 5 79.077 2.040 1.876 1.00 0.00 C ATOM 68 CG TYR A 5 79.049 2.798 3.181 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.123 2.450 4.172 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.948 3.848 3.401 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.097 3.151 5.383 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.922 4.550 4.612 1.00 0.00 C ATOM 73 CZ TYR A 5 78.996 4.202 5.603 1.00 0.00 C ATOM 74 OH TYR A 5 78.970 4.894 6.797 1.00 0.00 O ATOM 0 H TYR A 5 81.380 2.321 2.436 1.00 0.00 H new ATOM 0 HA TYR A 5 79.533 0.094 2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.471 2.675 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.065 1.757 1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.429 1.640 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.662 4.117 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.384 2.881 6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.616 5.360 4.782 1.00 0.00 H new ATOM 0 HH TYR A 5 79.659 5.590 6.787 1.00 0.00 H new ATOM 84 N LYS A 6 81.165 0.144 0.033 1.00 0.00 N ATOM 85 CA LYS A 6 81.324 -0.567 -1.268 1.00 0.00 C ATOM 86 C LYS A 6 81.386 -2.079 -1.037 1.00 0.00 C ATOM 87 O LYS A 6 80.915 -2.860 -1.840 1.00 0.00 O ATOM 88 CB LYS A 6 82.646 -0.056 -1.840 1.00 0.00 C ATOM 89 CG LYS A 6 82.571 -0.047 -3.367 1.00 0.00 C ATOM 90 CD LYS A 6 83.583 0.957 -3.923 1.00 0.00 C ATOM 91 CE LYS A 6 82.873 1.929 -4.867 1.00 0.00 C ATOM 92 NZ LYS A 6 82.666 1.161 -6.126 1.00 0.00 N ATOM 0 H LYS A 6 81.973 0.691 0.331 1.00 0.00 H new ATOM 0 HA LYS A 6 80.490 -0.383 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.851 0.948 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.467 -0.692 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.779 -1.043 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 6 81.564 0.218 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 6 84.054 1.505 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 6 84.377 0.432 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 6 81.924 2.264 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 83.476 2.820 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 83.138 1.650 -6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 83.067 0.207 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 81.648 1.088 -6.325 1.00 0.00 H new ATOM 106 N ALA A 7 81.964 -2.498 0.056 1.00 0.00 N ATOM 107 CA ALA A 7 82.055 -3.960 0.337 1.00 0.00 C ATOM 108 C ALA A 7 80.716 -4.475 0.872 1.00 0.00 C ATOM 109 O ALA A 7 80.404 -5.646 0.770 1.00 0.00 O ATOM 110 CB ALA A 7 83.143 -4.091 1.402 1.00 0.00 C ATOM 0 H ALA A 7 82.377 -1.893 0.766 1.00 0.00 H new ATOM 0 HA ALA A 7 82.288 -4.541 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 7 83.271 -5.141 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 7 84.082 -3.697 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.853 -3.528 2.289 1.00 0.00 H new ATOM 116 N ALA A 8 79.921 -3.609 1.439 1.00 0.00 N ATOM 117 CA ALA A 8 78.602 -4.047 1.978 1.00 0.00 C ATOM 118 C ALA A 8 77.849 -4.868 0.928 1.00 0.00 C ATOM 119 O ALA A 8 77.336 -5.933 1.208 1.00 0.00 O ATOM 120 CB ALA A 8 77.850 -2.752 2.285 1.00 0.00 C ATOM 0 H ALA A 8 80.128 -2.617 1.552 1.00 0.00 H new ATOM 0 HA ALA A 8 78.705 -4.678 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.865 -2.990 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 8 78.410 -2.171 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.737 -2.171 1.370 1.00 0.00 H new ATOM 126 N VAL A 9 77.779 -4.379 -0.280 1.00 0.00 N ATOM 127 CA VAL A 9 77.059 -5.130 -1.348 1.00 0.00 C ATOM 128 C VAL A 9 77.892 -6.331 -1.806 1.00 0.00 C ATOM 129 O VAL A 9 77.408 -7.443 -1.877 1.00 0.00 O ATOM 130 CB VAL A 9 76.886 -4.126 -2.487 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.318 -4.838 -3.716 1.00 0.00 C ATOM 132 CG2 VAL A 9 75.921 -3.023 -2.047 1.00 0.00 C ATOM 0 H VAL A 9 78.189 -3.492 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 9 76.103 -5.524 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 9 77.853 -3.689 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.195 -4.121 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.003 -5.626 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.351 -5.275 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 9 75.795 -2.305 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 74.955 -3.463 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.324 -2.515 -1.171 1.00 0.00 H new ATOM 142 N GLU A 10 79.142 -6.116 -2.118 1.00 0.00 N ATOM 143 CA GLU A 10 80.002 -7.248 -2.568 1.00 0.00 C ATOM 144 C GLU A 10 79.878 -8.423 -1.595 1.00 0.00 C ATOM 145 O GLU A 10 80.079 -9.565 -1.956 1.00 0.00 O ATOM 146 CB GLU A 10 81.426 -6.693 -2.561 1.00 0.00 C ATOM 147 CG GLU A 10 81.486 -5.424 -3.414 1.00 0.00 C ATOM 148 CD GLU A 10 82.341 -5.685 -4.655 1.00 0.00 C ATOM 149 OE1 GLU A 10 81.800 -6.179 -5.632 1.00 0.00 O ATOM 150 OE2 GLU A 10 83.523 -5.387 -4.610 1.00 0.00 O ATOM 0 H GLU A 10 79.604 -5.207 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 10 79.716 -7.619 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.736 -6.472 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.120 -7.438 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.481 -5.123 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.908 -4.603 -2.835 1.00 0.00 H new ATOM 157 N GLN A 11 79.547 -8.150 -0.363 1.00 0.00 N ATOM 158 CA GLN A 11 79.409 -9.250 0.634 1.00 0.00 C ATOM 159 C GLN A 11 78.215 -10.138 0.274 1.00 0.00 C ATOM 160 O GLN A 11 78.232 -11.335 0.486 1.00 0.00 O ATOM 161 CB GLN A 11 79.171 -8.544 1.970 1.00 0.00 C ATOM 162 CG GLN A 11 80.477 -8.503 2.766 1.00 0.00 C ATOM 163 CD GLN A 11 80.605 -7.149 3.470 1.00 0.00 C ATOM 164 OE1 GLN A 11 79.537 -6.575 3.953 1.00 0.00 O flip ATOM 165 NE2 GLN A 11 81.687 -6.610 3.581 1.00 0.00 N flip ATOM 0 H GLN A 11 79.366 -7.213 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 11 80.287 -9.895 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.806 -7.532 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 11 78.403 -9.068 2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 11 80.493 -9.309 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.326 -8.660 2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.521 -7.059 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 11 81.762 -5.708 4.052 1.00 0.00 H new ATOM 174 N LEU A 12 77.178 -9.561 -0.268 1.00 0.00 N ATOM 175 CA LEU A 12 75.983 -10.370 -0.643 1.00 0.00 C ATOM 176 C LEU A 12 76.273 -11.187 -1.905 1.00 0.00 C ATOM 177 O LEU A 12 77.202 -10.909 -2.637 1.00 0.00 O ATOM 178 CB LEU A 12 74.881 -9.345 -0.909 1.00 0.00 C ATOM 179 CG LEU A 12 74.747 -8.415 0.298 1.00 0.00 C ATOM 180 CD1 LEU A 12 74.146 -7.081 -0.149 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.831 -9.061 1.340 1.00 0.00 C ATOM 0 H LEU A 12 77.106 -8.563 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 12 75.702 -11.079 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.116 -8.767 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.935 -9.853 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 12 75.731 -8.243 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 12 74.051 -6.418 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.797 -6.620 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.162 -7.253 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.735 -8.399 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.847 -9.233 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.257 -10.012 1.660 1.00 0.00 H new ATOM 193 N THR A 13 75.484 -12.192 -2.165 1.00 0.00 N ATOM 194 CA THR A 13 75.714 -13.026 -3.380 1.00 0.00 C ATOM 195 C THR A 13 74.593 -12.799 -4.396 1.00 0.00 C ATOM 196 O THR A 13 73.557 -12.248 -4.081 1.00 0.00 O ATOM 197 CB THR A 13 75.697 -14.470 -2.877 1.00 0.00 C ATOM 198 OG1 THR A 13 74.410 -14.772 -2.356 1.00 0.00 O ATOM 199 CG2 THR A 13 76.746 -14.642 -1.779 1.00 0.00 C ATOM 0 H THR A 13 74.690 -12.473 -1.590 1.00 0.00 H new ATOM 0 HA THR A 13 76.651 -12.779 -3.880 1.00 0.00 H new ATOM 0 HB THR A 13 75.924 -15.145 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.396 -15.698 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.733 -15.672 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.733 -14.409 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 13 76.521 -13.968 -0.952 1.00 0.00 H new ATOM 207 N GLU A 14 74.791 -13.220 -5.616 1.00 0.00 N ATOM 208 CA GLU A 14 73.735 -13.029 -6.650 1.00 0.00 C ATOM 209 C GLU A 14 72.398 -13.578 -6.146 1.00 0.00 C ATOM 210 O GLU A 14 71.374 -12.931 -6.245 1.00 0.00 O ATOM 211 CB GLU A 14 74.219 -13.827 -7.861 1.00 0.00 C ATOM 212 CG GLU A 14 73.213 -13.683 -9.005 1.00 0.00 C ATOM 213 CD GLU A 14 73.630 -12.522 -9.909 1.00 0.00 C ATOM 214 OE1 GLU A 14 74.369 -11.670 -9.444 1.00 0.00 O ATOM 215 OE2 GLU A 14 73.203 -12.504 -11.052 1.00 0.00 O ATOM 0 H GLU A 14 75.638 -13.687 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 14 73.577 -11.978 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.199 -13.469 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.334 -14.878 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 14 73.166 -14.607 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.215 -13.506 -8.605 1.00 0.00 H new ATOM 222 N GLU A 15 72.400 -14.764 -5.602 1.00 0.00 N ATOM 223 CA GLU A 15 71.129 -15.352 -5.089 1.00 0.00 C ATOM 224 C GLU A 15 70.401 -14.340 -4.201 1.00 0.00 C ATOM 225 O GLU A 15 69.224 -14.088 -4.367 1.00 0.00 O ATOM 226 CB GLU A 15 71.560 -16.571 -4.272 1.00 0.00 C ATOM 227 CG GLU A 15 72.148 -17.631 -5.206 1.00 0.00 C ATOM 228 CD GLU A 15 73.560 -17.993 -4.745 1.00 0.00 C ATOM 229 OE1 GLU A 15 73.742 -18.190 -3.554 1.00 0.00 O ATOM 230 OE2 GLU A 15 74.437 -18.068 -5.590 1.00 0.00 O ATOM 0 H GLU A 15 73.226 -15.352 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 15 70.443 -15.621 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 15 72.299 -16.279 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 15 70.706 -16.980 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 71.516 -18.519 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 15 72.173 -17.255 -6.229 1.00 0.00 H new ATOM 237 N GLN A 16 71.091 -13.756 -3.260 1.00 0.00 N ATOM 238 CA GLN A 16 70.437 -12.761 -2.363 1.00 0.00 C ATOM 239 C GLN A 16 70.109 -11.484 -3.141 1.00 0.00 C ATOM 240 O GLN A 16 69.103 -10.844 -2.906 1.00 0.00 O ATOM 241 CB GLN A 16 71.468 -12.472 -1.271 1.00 0.00 C ATOM 242 CG GLN A 16 71.584 -13.682 -0.344 1.00 0.00 C ATOM 243 CD GLN A 16 70.805 -13.413 0.946 1.00 0.00 C ATOM 244 OE1 GLN A 16 69.944 -12.556 0.982 1.00 0.00 O ATOM 245 NE2 GLN A 16 71.072 -14.114 2.014 1.00 0.00 N ATOM 0 H GLN A 16 72.079 -13.925 -3.073 1.00 0.00 H new ATOM 0 HA GLN A 16 69.499 -13.132 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.436 -12.251 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.172 -11.591 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 16 71.193 -14.571 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.631 -13.879 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 16 71.794 -14.833 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 16 70.558 -13.942 2.878 1.00 0.00 H new ATOM 254 N LYS A 17 70.950 -11.107 -4.064 1.00 0.00 N ATOM 255 CA LYS A 17 70.686 -9.870 -4.856 1.00 0.00 C ATOM 256 C LYS A 17 69.383 -10.014 -5.647 1.00 0.00 C ATOM 257 O LYS A 17 68.831 -9.047 -6.131 1.00 0.00 O ATOM 258 CB LYS A 17 71.878 -9.744 -5.804 1.00 0.00 C ATOM 259 CG LYS A 17 72.957 -8.875 -5.154 1.00 0.00 C ATOM 260 CD LYS A 17 73.837 -8.255 -6.243 1.00 0.00 C ATOM 261 CE LYS A 17 75.292 -8.673 -6.021 1.00 0.00 C ATOM 262 NZ LYS A 17 75.605 -8.252 -4.627 1.00 0.00 N ATOM 0 H LYS A 17 71.809 -11.601 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 17 70.575 -8.991 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.280 -10.731 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.560 -9.302 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.495 -8.091 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.565 -9.476 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.500 -8.580 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.752 -7.169 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.417 -9.749 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.955 -8.189 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 76.575 -7.878 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 74.936 -7.513 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.523 -9.070 -3.991 1.00 0.00 H new ATOM 276 N ASN A 18 68.888 -11.215 -5.783 1.00 0.00 N ATOM 277 CA ASN A 18 67.622 -11.416 -6.544 1.00 0.00 C ATOM 278 C ASN A 18 66.421 -10.987 -5.695 1.00 0.00 C ATOM 279 O ASN A 18 65.407 -10.561 -6.210 1.00 0.00 O ATOM 280 CB ASN A 18 67.567 -12.917 -6.832 1.00 0.00 C ATOM 281 CG ASN A 18 68.289 -13.210 -8.148 1.00 0.00 C ATOM 282 OD1 ASN A 18 68.337 -12.372 -9.028 1.00 0.00 O ATOM 283 ND2 ASN A 18 68.858 -14.372 -8.323 1.00 0.00 N ATOM 0 H ASN A 18 69.305 -12.064 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 18 67.591 -10.824 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.033 -13.472 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 18 66.531 -13.249 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 18 69.342 -14.576 -9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 18 68.818 -15.076 -7.586 1.00 0.00 H new ATOM 290 N GLU A 19 66.531 -11.097 -4.400 1.00 0.00 N ATOM 291 CA GLU A 19 65.396 -10.695 -3.520 1.00 0.00 C ATOM 292 C GLU A 19 65.165 -9.185 -3.612 1.00 0.00 C ATOM 293 O GLU A 19 64.113 -8.731 -4.017 1.00 0.00 O ATOM 294 CB GLU A 19 65.833 -11.086 -2.108 1.00 0.00 C ATOM 295 CG GLU A 19 65.860 -12.610 -1.984 1.00 0.00 C ATOM 296 CD GLU A 19 66.749 -13.012 -0.807 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.584 -12.439 0.257 1.00 0.00 O ATOM 298 OE2 GLU A 19 67.582 -13.885 -0.990 1.00 0.00 O ATOM 0 H GLU A 19 67.356 -11.447 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 19 64.461 -11.177 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.820 -10.676 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.147 -10.663 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.849 -12.991 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 19 66.237 -13.054 -2.906 1.00 0.00 H new ATOM 305 N PHE A 20 66.141 -8.402 -3.239 1.00 0.00 N ATOM 306 CA PHE A 20 65.975 -6.923 -3.307 1.00 0.00 C ATOM 307 C PHE A 20 65.730 -6.486 -4.753 1.00 0.00 C ATOM 308 O PHE A 20 65.229 -5.410 -5.012 1.00 0.00 O ATOM 309 CB PHE A 20 67.296 -6.352 -2.789 1.00 0.00 C ATOM 310 CG PHE A 20 67.204 -6.151 -1.296 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.064 -5.561 -0.739 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.258 -6.557 -0.468 1.00 0.00 C ATOM 313 CE1 PHE A 20 65.977 -5.376 0.646 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.171 -6.372 0.918 1.00 0.00 C ATOM 315 CZ PHE A 20 67.030 -5.781 1.474 1.00 0.00 C ATOM 0 H PHE A 20 67.045 -8.723 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 20 65.124 -6.574 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.116 -7.030 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.514 -5.404 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.251 -5.248 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.138 -7.013 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.097 -4.921 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 20 68.983 -6.685 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 20 66.962 -5.638 2.542 1.00 0.00 H new ATOM 325 N LYS A 21 66.078 -7.316 -5.698 1.00 0.00 N ATOM 326 CA LYS A 21 65.864 -6.951 -7.128 1.00 0.00 C ATOM 327 C LYS A 21 64.381 -7.072 -7.485 1.00 0.00 C ATOM 328 O LYS A 21 63.792 -6.169 -8.046 1.00 0.00 O ATOM 329 CB LYS A 21 66.692 -7.962 -7.923 1.00 0.00 C ATOM 330 CG LYS A 21 66.409 -7.790 -9.416 1.00 0.00 C ATOM 331 CD LYS A 21 67.731 -7.718 -10.182 1.00 0.00 C ATOM 332 CE LYS A 21 67.944 -9.020 -10.956 1.00 0.00 C ATOM 333 NZ LYS A 21 68.900 -8.668 -12.043 1.00 0.00 N ATOM 0 H LYS A 21 66.501 -8.231 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 21 66.160 -5.924 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.754 -7.816 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.446 -8.977 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.810 -8.624 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 21 65.829 -6.883 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 67.720 -6.872 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 68.557 -7.555 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 21 68.348 -9.801 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 21 67.005 -9.396 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 69.096 -9.511 -12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 68.485 -7.927 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 69.787 -8.319 -11.626 1.00 0.00 H new ATOM 347 N ALA A 22 63.774 -8.182 -7.165 1.00 0.00 N ATOM 348 CA ALA A 22 62.329 -8.362 -7.487 1.00 0.00 C ATOM 349 C ALA A 22 61.468 -7.520 -6.541 1.00 0.00 C ATOM 350 O ALA A 22 60.258 -7.494 -6.647 1.00 0.00 O ATOM 351 CB ALA A 22 62.058 -9.851 -7.277 1.00 0.00 C ATOM 0 H ALA A 22 64.216 -8.972 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 22 62.089 -8.044 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.012 -10.065 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.694 -10.434 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.275 -10.118 -6.243 1.00 0.00 H new ATOM 357 N ALA A 23 62.082 -6.835 -5.616 1.00 0.00 N ATOM 358 CA ALA A 23 61.296 -5.997 -4.665 1.00 0.00 C ATOM 359 C ALA A 23 61.663 -4.520 -4.834 1.00 0.00 C ATOM 360 O ALA A 23 61.004 -3.643 -4.310 1.00 0.00 O ATOM 361 CB ALA A 23 61.696 -6.491 -3.275 1.00 0.00 C ATOM 0 H ALA A 23 63.092 -6.819 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 23 60.222 -6.080 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.158 -5.921 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.447 -7.548 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.769 -6.357 -3.136 1.00 0.00 H new ATOM 367 N PHE A 24 62.709 -4.239 -5.561 1.00 0.00 N ATOM 368 CA PHE A 24 63.116 -2.820 -5.759 1.00 0.00 C ATOM 369 C PHE A 24 62.640 -2.319 -7.125 1.00 0.00 C ATOM 370 O PHE A 24 61.919 -1.345 -7.223 1.00 0.00 O ATOM 371 CB PHE A 24 64.643 -2.835 -5.695 1.00 0.00 C ATOM 372 CG PHE A 24 65.167 -1.437 -5.915 1.00 0.00 C ATOM 373 CD1 PHE A 24 65.065 -0.842 -7.178 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.754 -0.735 -4.856 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.551 0.454 -7.382 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.240 0.561 -5.059 1.00 0.00 C ATOM 377 CZ PHE A 24 66.139 1.156 -6.324 1.00 0.00 C ATOM 0 H PHE A 24 63.298 -4.930 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 24 62.683 -2.157 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.974 -3.211 -4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 24 65.043 -3.509 -6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.611 -1.383 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.832 -1.194 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.472 0.913 -8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.693 1.103 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.515 2.156 -6.482 1.00 0.00 H new ATOM 387 N ASP A 25 63.036 -2.976 -8.180 1.00 0.00 N ATOM 388 CA ASP A 25 62.604 -2.535 -9.537 1.00 0.00 C ATOM 389 C ASP A 25 61.079 -2.413 -9.590 1.00 0.00 C ATOM 390 O ASP A 25 60.531 -1.723 -10.427 1.00 0.00 O ATOM 391 CB ASP A 25 63.089 -3.632 -10.484 1.00 0.00 C ATOM 392 CG ASP A 25 64.474 -3.266 -11.021 1.00 0.00 C ATOM 393 OD1 ASP A 25 64.536 -2.545 -12.003 1.00 0.00 O ATOM 394 OD2 ASP A 25 65.451 -3.710 -10.439 1.00 0.00 O ATOM 0 H ASP A 25 63.639 -3.798 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 25 63.010 -1.560 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 25 63.131 -4.587 -9.960 1.00 0.00 H new ATOM 0 HB3 ASP A 25 62.387 -3.751 -11.309 1.00 0.00 H new ATOM 399 N ILE A 26 60.391 -3.077 -8.702 1.00 0.00 N ATOM 400 CA ILE A 26 58.902 -3.000 -8.702 1.00 0.00 C ATOM 401 C ILE A 26 58.438 -1.705 -8.032 1.00 0.00 C ATOM 402 O ILE A 26 57.257 -1.452 -7.899 1.00 0.00 O ATOM 403 CB ILE A 26 58.445 -4.211 -7.892 1.00 0.00 C ATOM 404 CG1 ILE A 26 59.003 -5.485 -8.538 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.915 -4.262 -7.878 1.00 0.00 C ATOM 406 CD1 ILE A 26 58.236 -6.705 -8.026 1.00 0.00 C ATOM 0 H ILE A 26 60.795 -3.669 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 26 58.489 -3.002 -9.711 1.00 0.00 H new ATOM 0 HB ILE A 26 58.810 -4.134 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 26 58.919 -5.420 -9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 60.063 -5.587 -8.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.585 -5.126 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.525 -3.351 -7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.544 -4.346 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.637 -7.607 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.343 -6.774 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 26 57.181 -6.605 -8.281 1.00 0.00 H new ATOM 418 N PHE A 27 59.356 -0.881 -7.604 1.00 0.00 N ATOM 419 CA PHE A 27 58.961 0.393 -6.940 1.00 0.00 C ATOM 420 C PHE A 27 59.794 1.563 -7.476 1.00 0.00 C ATOM 421 O PHE A 27 60.081 2.507 -6.765 1.00 0.00 O ATOM 422 CB PHE A 27 59.243 0.168 -5.454 1.00 0.00 C ATOM 423 CG PHE A 27 58.213 -0.779 -4.883 1.00 0.00 C ATOM 424 CD1 PHE A 27 58.358 -2.161 -5.057 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.112 -0.274 -4.180 1.00 0.00 C ATOM 426 CE1 PHE A 27 57.403 -3.038 -4.528 1.00 0.00 C ATOM 427 CE2 PHE A 27 56.157 -1.151 -3.650 1.00 0.00 C ATOM 428 CZ PHE A 27 56.303 -2.532 -3.824 1.00 0.00 C ATOM 0 H PHE A 27 60.361 -1.035 -7.686 1.00 0.00 H new ATOM 0 HA PHE A 27 57.917 0.644 -7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.244 -0.243 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.215 1.118 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 27 59.207 -2.551 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.999 0.792 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 27 57.515 -4.104 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.308 -0.762 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 27 55.567 -3.208 -3.415 1.00 0.00 H new ATOM 438 N VAL A 28 60.177 1.516 -8.723 1.00 0.00 N ATOM 439 CA VAL A 28 60.979 2.631 -9.299 1.00 0.00 C ATOM 440 C VAL A 28 60.104 3.427 -10.268 1.00 0.00 C ATOM 441 O VAL A 28 58.934 3.639 -10.025 1.00 0.00 O ATOM 442 CB VAL A 28 62.150 1.969 -10.045 1.00 0.00 C ATOM 443 CG1 VAL A 28 63.365 2.898 -10.008 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.523 0.637 -9.385 1.00 0.00 C ATOM 0 H VAL A 28 59.969 0.753 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 28 61.344 3.318 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 28 61.847 1.784 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 28 64.196 2.431 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 28 63.115 3.844 -10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 63.651 3.082 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.353 0.183 -9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 62.817 0.813 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 28 61.664 -0.034 -9.409 1.00 0.00 H new ATOM 454 N LEU A 29 60.663 3.853 -11.365 1.00 0.00 N ATOM 455 CA LEU A 29 59.881 4.635 -12.371 1.00 0.00 C ATOM 456 C LEU A 29 60.836 5.160 -13.454 1.00 0.00 C ATOM 457 O LEU A 29 61.669 4.434 -13.959 1.00 0.00 O ATOM 458 CB LEU A 29 59.251 5.794 -11.589 1.00 0.00 C ATOM 459 CG LEU A 29 60.340 6.550 -10.826 1.00 0.00 C ATOM 460 CD1 LEU A 29 60.192 8.052 -11.077 1.00 0.00 C ATOM 461 CD2 LEU A 29 60.203 6.270 -9.327 1.00 0.00 C ATOM 0 H LEU A 29 61.639 3.693 -11.613 1.00 0.00 H new ATOM 0 HA LEU A 29 59.117 4.037 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 29 58.736 6.469 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 29 58.503 5.413 -10.893 1.00 0.00 H new ATOM 0 HG LEU A 29 61.319 6.218 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 29 60.968 8.590 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 29 60.290 8.254 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 29 59.212 8.383 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 29 60.979 6.809 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 29 59.223 6.601 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 29 60.309 5.200 -9.145 1.00 0.00 H new ATOM 473 N GLY A 30 60.738 6.415 -13.807 1.00 0.00 N ATOM 474 CA GLY A 30 61.654 6.972 -14.841 1.00 0.00 C ATOM 475 C GLY A 30 62.627 7.938 -14.168 1.00 0.00 C ATOM 476 O GLY A 30 62.969 8.971 -14.705 1.00 0.00 O ATOM 0 H GLY A 30 60.063 7.077 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 62.201 6.168 -15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 30 61.083 7.488 -15.613 1.00 0.00 H new ATOM 480 N ALA A 31 63.066 7.605 -12.986 1.00 0.00 N ATOM 481 CA ALA A 31 64.011 8.496 -12.256 1.00 0.00 C ATOM 482 C ALA A 31 65.318 8.649 -13.041 1.00 0.00 C ATOM 483 O ALA A 31 65.341 8.559 -14.252 1.00 0.00 O ATOM 484 CB ALA A 31 64.263 7.793 -10.922 1.00 0.00 C ATOM 0 H ALA A 31 62.810 6.750 -12.492 1.00 0.00 H new ATOM 0 HA ALA A 31 63.609 9.500 -12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.952 8.387 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 63.320 7.680 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 31 64.696 6.810 -11.105 1.00 0.00 H new ATOM 490 N GLU A 32 66.404 8.883 -12.357 1.00 0.00 N ATOM 491 CA GLU A 32 67.709 9.047 -13.060 1.00 0.00 C ATOM 492 C GLU A 32 68.184 7.706 -13.623 1.00 0.00 C ATOM 493 O GLU A 32 68.573 7.605 -14.769 1.00 0.00 O ATOM 494 CB GLU A 32 68.676 9.548 -11.985 1.00 0.00 C ATOM 495 CG GLU A 32 69.879 10.217 -12.653 1.00 0.00 C ATOM 496 CD GLU A 32 70.302 11.438 -11.835 1.00 0.00 C ATOM 497 OE1 GLU A 32 69.491 11.919 -11.060 1.00 0.00 O ATOM 498 OE2 GLU A 32 71.430 11.873 -11.997 1.00 0.00 O ATOM 0 H GLU A 32 66.445 8.968 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 32 67.639 9.736 -13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 32 68.171 10.256 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 32 69.008 8.717 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.706 9.511 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 32 69.624 10.517 -13.669 1.00 0.00 H new ATOM 505 N ASP A 33 68.158 6.673 -12.825 1.00 0.00 N ATOM 506 CA ASP A 33 68.612 5.341 -13.318 1.00 0.00 C ATOM 507 C ASP A 33 68.339 4.266 -12.264 1.00 0.00 C ATOM 508 O ASP A 33 69.210 3.889 -11.505 1.00 0.00 O ATOM 509 CB ASP A 33 70.115 5.498 -13.548 1.00 0.00 C ATOM 510 CG ASP A 33 70.743 4.123 -13.786 1.00 0.00 C ATOM 511 OD1 ASP A 33 69.997 3.168 -13.924 1.00 0.00 O ATOM 512 OD2 ASP A 33 71.961 4.049 -13.828 1.00 0.00 O ATOM 0 H ASP A 33 67.843 6.694 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 33 68.090 5.035 -14.225 1.00 0.00 H new ATOM 0 HB2 ASP A 33 70.296 6.145 -14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 33 70.578 5.976 -12.684 1.00 0.00 H new ATOM 517 N GLY A 34 67.134 3.767 -12.210 1.00 0.00 N ATOM 518 CA GLY A 34 66.806 2.716 -11.205 1.00 0.00 C ATOM 519 C GLY A 34 66.768 3.336 -9.808 1.00 0.00 C ATOM 520 O GLY A 34 67.401 2.859 -8.888 1.00 0.00 O ATOM 0 H GLY A 34 66.363 4.042 -12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.843 2.263 -11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 34 67.550 1.920 -11.240 1.00 0.00 H new ATOM 524 N CYS A 35 66.028 4.399 -9.641 1.00 0.00 N ATOM 525 CA CYS A 35 65.949 5.050 -8.302 1.00 0.00 C ATOM 526 C CYS A 35 64.492 5.134 -7.841 1.00 0.00 C ATOM 527 O CYS A 35 63.607 5.463 -8.605 1.00 0.00 O ATOM 528 CB CYS A 35 66.529 6.449 -8.510 1.00 0.00 C ATOM 529 SG CYS A 35 68.144 6.320 -9.316 1.00 0.00 S ATOM 0 H CYS A 35 65.475 4.844 -10.373 1.00 0.00 H new ATOM 0 HA CYS A 35 66.491 4.494 -7.537 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.853 7.047 -9.121 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.629 6.959 -7.552 1.00 0.00 H new ATOM 0 HG CYS A 35 69.077 6.650 -8.473 1.00 0.00 H new ATOM 535 N ILE A 36 64.234 4.837 -6.596 1.00 0.00 N ATOM 536 CA ILE A 36 62.833 4.899 -6.090 1.00 0.00 C ATOM 537 C ILE A 36 62.642 6.133 -5.208 1.00 0.00 C ATOM 538 O ILE A 36 63.587 6.816 -4.864 1.00 0.00 O ATOM 539 CB ILE A 36 62.647 3.621 -5.272 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.489 3.703 -3.995 1.00 0.00 C ATOM 541 CG2 ILE A 36 63.097 2.416 -6.099 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.060 2.597 -3.032 1.00 0.00 C ATOM 0 H ILE A 36 64.932 4.554 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 36 62.107 4.973 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 36 61.595 3.510 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.547 3.600 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.363 4.678 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.964 1.505 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.499 2.355 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 64.149 2.528 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.658 2.654 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.006 2.721 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.209 1.626 -3.504 1.00 0.00 H new ATOM 554 N SER A 37 61.426 6.424 -4.836 1.00 0.00 N ATOM 555 CA SER A 37 61.176 7.612 -3.973 1.00 0.00 C ATOM 556 C SER A 37 61.306 7.225 -2.498 1.00 0.00 C ATOM 557 O SER A 37 60.699 6.278 -2.040 1.00 0.00 O ATOM 558 CB SER A 37 59.743 8.039 -4.290 1.00 0.00 C ATOM 559 OG SER A 37 59.436 9.227 -3.573 1.00 0.00 O ATOM 0 H SER A 37 60.595 5.891 -5.092 1.00 0.00 H new ATOM 0 HA SER A 37 61.889 8.415 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.630 8.208 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.047 7.246 -4.017 1.00 0.00 H new ATOM 0 HG SER A 37 58.518 9.504 -3.776 1.00 0.00 H new ATOM 565 N THR A 38 62.097 7.947 -1.752 1.00 0.00 N ATOM 566 CA THR A 38 62.267 7.616 -0.306 1.00 0.00 C ATOM 567 C THR A 38 60.915 7.266 0.320 1.00 0.00 C ATOM 568 O THR A 38 60.831 6.475 1.238 1.00 0.00 O ATOM 569 CB THR A 38 62.838 8.886 0.326 1.00 0.00 C ATOM 570 OG1 THR A 38 62.078 10.009 -0.102 1.00 0.00 O ATOM 571 CG2 THR A 38 64.296 9.061 -0.102 1.00 0.00 C ATOM 0 H THR A 38 62.633 8.751 -2.079 1.00 0.00 H new ATOM 0 HA THR A 38 62.919 6.756 -0.153 1.00 0.00 H new ATOM 0 HB THR A 38 62.788 8.806 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.442 10.824 0.303 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.701 9.967 0.349 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.878 8.200 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.349 9.141 -1.188 1.00 0.00 H new ATOM 579 N LYS A 39 59.855 7.849 -0.170 1.00 0.00 N ATOM 580 CA LYS A 39 58.509 7.548 0.397 1.00 0.00 C ATOM 581 C LYS A 39 58.192 6.058 0.245 1.00 0.00 C ATOM 582 O LYS A 39 57.538 5.465 1.079 1.00 0.00 O ATOM 583 CB LYS A 39 57.535 8.392 -0.426 1.00 0.00 C ATOM 584 CG LYS A 39 57.344 9.753 0.248 1.00 0.00 C ATOM 585 CD LYS A 39 55.985 10.334 -0.151 1.00 0.00 C ATOM 586 CE LYS A 39 55.741 11.635 0.617 1.00 0.00 C ATOM 587 NZ LYS A 39 55.039 11.219 1.862 1.00 0.00 N ATOM 0 H LYS A 39 59.862 8.520 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 39 58.448 7.777 1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.918 8.526 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.577 7.880 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.402 9.646 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 39 58.143 10.433 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 39 55.959 10.522 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 55.193 9.617 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.679 12.142 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.135 12.330 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 54.837 12.057 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 54.147 10.745 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 55.643 10.564 2.398 1.00 0.00 H new ATOM 601 N GLU A 40 58.654 5.449 -0.812 1.00 0.00 N ATOM 602 CA GLU A 40 58.380 3.998 -1.016 1.00 0.00 C ATOM 603 C GLU A 40 59.385 3.156 -0.224 1.00 0.00 C ATOM 604 O GLU A 40 59.073 2.081 0.246 1.00 0.00 O ATOM 605 CB GLU A 40 58.552 3.768 -2.518 1.00 0.00 C ATOM 606 CG GLU A 40 57.637 4.724 -3.287 1.00 0.00 C ATOM 607 CD GLU A 40 56.375 3.980 -3.728 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.282 2.796 -3.448 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.525 4.606 -4.338 1.00 0.00 O ATOM 0 H GLU A 40 59.209 5.893 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 40 57.385 3.713 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.591 3.931 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.310 2.735 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.370 5.573 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.159 5.123 -4.157 1.00 0.00 H new ATOM 616 N LEU A 41 60.589 3.640 -0.072 1.00 0.00 N ATOM 617 CA LEU A 41 61.612 2.869 0.691 1.00 0.00 C ATOM 618 C LEU A 41 60.984 2.271 1.953 1.00 0.00 C ATOM 619 O LEU A 41 61.370 1.212 2.408 1.00 0.00 O ATOM 620 CB LEU A 41 62.686 3.894 1.061 1.00 0.00 C ATOM 621 CG LEU A 41 64.011 3.174 1.322 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.457 2.447 0.053 1.00 0.00 C ATOM 623 CD2 LEU A 41 65.077 4.199 1.721 1.00 0.00 C ATOM 0 H LEU A 41 60.908 4.535 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 41 62.022 2.040 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.806 4.618 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.382 4.451 1.947 1.00 0.00 H new ATOM 0 HG LEU A 41 63.878 2.451 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.401 1.935 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 63.699 1.718 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 41 64.590 3.169 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 66.022 3.688 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 41 65.208 4.921 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 41 64.761 4.719 2.625 1.00 0.00 H new ATOM 635 N GLY A 42 60.016 2.939 2.518 1.00 0.00 N ATOM 636 CA GLY A 42 59.361 2.408 3.747 1.00 0.00 C ATOM 637 C GLY A 42 58.690 1.073 3.425 1.00 0.00 C ATOM 638 O GLY A 42 59.026 0.047 3.982 1.00 0.00 O ATOM 0 H GLY A 42 59.650 3.830 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 60.099 2.276 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.622 3.120 4.116 1.00 0.00 H new ATOM 642 N LYS A 43 57.744 1.076 2.526 1.00 0.00 N ATOM 643 CA LYS A 43 57.054 -0.195 2.165 1.00 0.00 C ATOM 644 C LYS A 43 58.079 -1.229 1.691 1.00 0.00 C ATOM 645 O LYS A 43 57.904 -2.418 1.867 1.00 0.00 O ATOM 646 CB LYS A 43 56.103 0.178 1.029 1.00 0.00 C ATOM 647 CG LYS A 43 55.001 1.095 1.565 1.00 0.00 C ATOM 648 CD LYS A 43 54.460 1.962 0.427 1.00 0.00 C ATOM 649 CE LYS A 43 53.023 2.381 0.741 1.00 0.00 C ATOM 650 NZ LYS A 43 52.174 1.290 0.185 1.00 0.00 N ATOM 0 H LYS A 43 57.419 1.903 2.026 1.00 0.00 H new ATOM 0 HA LYS A 43 56.523 -0.634 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.651 0.679 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.664 -0.722 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 43 54.196 0.500 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 43 55.394 1.726 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.087 2.844 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.492 1.409 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.870 2.492 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.783 3.341 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 51.172 1.506 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.336 1.212 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.421 0.390 0.644 1.00 0.00 H new ATOM 664 N VAL A 44 59.149 -0.781 1.094 1.00 0.00 N ATOM 665 CA VAL A 44 60.190 -1.733 0.611 1.00 0.00 C ATOM 666 C VAL A 44 60.987 -2.283 1.798 1.00 0.00 C ATOM 667 O VAL A 44 61.537 -3.366 1.742 1.00 0.00 O ATOM 668 CB VAL A 44 61.085 -0.900 -0.312 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.447 -1.578 -0.469 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.420 -0.775 -1.685 1.00 0.00 C ATOM 0 H VAL A 44 59.348 0.204 0.919 1.00 0.00 H new ATOM 0 HA VAL A 44 59.766 -2.593 0.093 1.00 0.00 H new ATOM 0 HB VAL A 44 61.225 0.090 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 63.078 -0.980 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.923 -1.668 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.312 -2.570 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.055 -0.183 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.279 -1.768 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.452 -0.286 -1.577 1.00 0.00 H new ATOM 680 N MET A 45 61.051 -1.546 2.874 1.00 0.00 N ATOM 681 CA MET A 45 61.809 -2.026 4.064 1.00 0.00 C ATOM 682 C MET A 45 60.963 -3.021 4.864 1.00 0.00 C ATOM 683 O MET A 45 61.409 -4.098 5.204 1.00 0.00 O ATOM 684 CB MET A 45 62.084 -0.770 4.892 1.00 0.00 C ATOM 685 CG MET A 45 63.415 -0.154 4.461 1.00 0.00 C ATOM 686 SD MET A 45 64.698 -0.587 5.662 1.00 0.00 S ATOM 687 CE MET A 45 66.102 0.099 4.748 1.00 0.00 C ATOM 0 H MET A 45 60.611 -0.632 2.980 1.00 0.00 H new ATOM 0 HA MET A 45 62.729 -2.541 3.787 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.277 -0.049 4.757 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.114 -1.020 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.692 -0.516 3.471 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.320 0.929 4.389 1.00 0.00 H new ATOM 0 HE1 MET A 45 67.033 -0.227 5.213 1.00 0.00 H new ATOM 0 HE2 MET A 45 66.070 -0.250 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 45 66.050 1.188 4.764 1.00 0.00 H new ATOM 697 N ARG A 46 59.744 -2.666 5.167 1.00 0.00 N ATOM 698 CA ARG A 46 58.870 -3.591 5.944 1.00 0.00 C ATOM 699 C ARG A 46 58.395 -4.742 5.053 1.00 0.00 C ATOM 700 O ARG A 46 57.753 -5.667 5.507 1.00 0.00 O ATOM 701 CB ARG A 46 57.684 -2.735 6.390 1.00 0.00 C ATOM 702 CG ARG A 46 56.946 -2.201 5.160 1.00 0.00 C ATOM 703 CD ARG A 46 55.479 -1.949 5.514 1.00 0.00 C ATOM 704 NE ARG A 46 54.783 -3.230 5.208 1.00 0.00 N ATOM 705 CZ ARG A 46 53.480 -3.269 5.162 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.840 -2.630 4.221 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.816 -3.947 6.059 1.00 0.00 N ATOM 0 H ARG A 46 59.316 -1.777 4.911 1.00 0.00 H new ATOM 0 HA ARG A 46 59.391 -4.038 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 46 57.006 -3.327 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 46 58.032 -1.906 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.412 -1.278 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.016 -2.917 4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.367 -1.680 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.067 -1.127 4.929 1.00 0.00 H new ATOM 0 HE ARG A 46 55.325 -4.076 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.359 -2.100 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 46 51.821 -2.661 4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.316 -4.446 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 46 51.797 -3.978 6.024 1.00 0.00 H new ATOM 721 N MET A 47 58.706 -4.690 3.787 1.00 0.00 N ATOM 722 CA MET A 47 58.274 -5.781 2.867 1.00 0.00 C ATOM 723 C MET A 47 59.089 -7.050 3.127 1.00 0.00 C ATOM 724 O MET A 47 58.573 -8.149 3.096 1.00 0.00 O ATOM 725 CB MET A 47 58.551 -5.245 1.462 1.00 0.00 C ATOM 726 CG MET A 47 57.227 -4.916 0.769 1.00 0.00 C ATOM 727 SD MET A 47 56.831 -6.217 -0.425 1.00 0.00 S ATOM 728 CE MET A 47 57.060 -5.228 -1.923 1.00 0.00 C ATOM 0 H MET A 47 59.241 -3.939 3.349 1.00 0.00 H new ATOM 0 HA MET A 47 57.226 -6.045 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.175 -4.353 1.518 1.00 0.00 H new ATOM 0 HB3 MET A 47 59.103 -5.984 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.430 -4.830 1.507 1.00 0.00 H new ATOM 0 HG3 MET A 47 57.298 -3.953 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 47 57.649 -5.793 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.088 -4.990 -2.354 1.00 0.00 H new ATOM 0 HE3 MET A 47 57.581 -4.304 -1.673 1.00 0.00 H new ATOM 738 N LEU A 48 60.361 -6.906 3.382 1.00 0.00 N ATOM 739 CA LEU A 48 61.209 -8.105 3.642 1.00 0.00 C ATOM 740 C LEU A 48 61.305 -8.370 5.147 1.00 0.00 C ATOM 741 O LEU A 48 61.780 -9.403 5.576 1.00 0.00 O ATOM 742 CB LEU A 48 62.582 -7.749 3.072 1.00 0.00 C ATOM 743 CG LEU A 48 62.644 -8.153 1.598 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.353 -7.060 0.798 1.00 0.00 C ATOM 745 CD2 LEU A 48 63.418 -9.467 1.463 1.00 0.00 C ATOM 0 H LEU A 48 60.849 -6.011 3.422 1.00 0.00 H new ATOM 0 HA LEU A 48 60.799 -9.007 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.764 -6.679 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.364 -8.260 3.633 1.00 0.00 H new ATOM 0 HG LEU A 48 61.632 -8.285 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 48 63.397 -7.348 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 48 62.803 -6.124 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.365 -6.928 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 48 63.463 -9.756 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.430 -9.334 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 62.913 -10.247 2.033 1.00 0.00 H new ATOM 757 N GLY A 49 60.859 -7.444 5.951 1.00 0.00 N ATOM 758 CA GLY A 49 60.926 -7.644 7.426 1.00 0.00 C ATOM 759 C GLY A 49 61.373 -6.344 8.099 1.00 0.00 C ATOM 760 O GLY A 49 60.646 -5.753 8.872 1.00 0.00 O ATOM 0 H GLY A 49 60.452 -6.559 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.951 -7.946 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.624 -8.447 7.663 1.00 0.00 H new ATOM 764 N GLN A 50 62.564 -5.895 7.811 1.00 0.00 N ATOM 765 CA GLN A 50 63.057 -4.633 8.435 1.00 0.00 C ATOM 766 C GLN A 50 61.956 -3.569 8.421 1.00 0.00 C ATOM 767 O GLN A 50 61.310 -3.342 7.418 1.00 0.00 O ATOM 768 CB GLN A 50 64.235 -4.196 7.565 1.00 0.00 C ATOM 769 CG GLN A 50 65.543 -4.404 8.332 1.00 0.00 C ATOM 770 CD GLN A 50 66.367 -5.497 7.648 1.00 0.00 C ATOM 771 OE1 GLN A 50 66.875 -6.388 8.299 1.00 0.00 O ATOM 772 NE2 GLN A 50 66.524 -5.465 6.353 1.00 0.00 N ATOM 0 H GLN A 50 63.217 -6.347 7.171 1.00 0.00 H new ATOM 0 HA GLN A 50 63.348 -4.774 9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 50 64.249 -4.771 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 50 64.127 -3.147 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 50 66.110 -3.473 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 50 65.331 -4.685 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 50 66.098 -4.717 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 50 67.073 -6.188 5.888 1.00 0.00 H new ATOM 781 N ASN A 51 61.743 -2.910 9.528 1.00 0.00 N ATOM 782 CA ASN A 51 60.687 -1.858 9.578 1.00 0.00 C ATOM 783 C ASN A 51 61.098 -0.751 10.553 1.00 0.00 C ATOM 784 O ASN A 51 60.736 -0.777 11.712 1.00 0.00 O ATOM 785 CB ASN A 51 59.429 -2.573 10.075 1.00 0.00 C ATOM 786 CG ASN A 51 59.788 -3.488 11.247 1.00 0.00 C ATOM 787 OD1 ASN A 51 59.770 -3.011 12.462 1.00 0.00 O flip ATOM 788 ND2 ASN A 51 60.090 -4.650 11.056 1.00 0.00 N flip ATOM 0 H ASN A 51 62.254 -3.054 10.399 1.00 0.00 H new ATOM 0 HA ASN A 51 60.526 -1.388 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 51 58.682 -1.842 10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.987 -3.156 9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 51 60.104 -5.024 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 51 60.329 -5.251 11.845 1.00 0.00 H new ATOM 795 N PRO A 52 61.847 0.187 10.042 1.00 0.00 N ATOM 796 CA PRO A 52 62.323 1.321 10.872 1.00 0.00 C ATOM 797 C PRO A 52 61.174 2.288 11.170 1.00 0.00 C ATOM 798 O PRO A 52 60.019 1.980 10.955 1.00 0.00 O ATOM 799 CB PRO A 52 63.381 1.986 9.995 1.00 0.00 C ATOM 800 CG PRO A 52 63.011 1.615 8.593 1.00 0.00 C ATOM 801 CD PRO A 52 62.318 0.279 8.655 1.00 0.00 C ATOM 0 HA PRO A 52 62.713 1.009 11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.382 3.068 10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.381 1.632 10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.356 2.368 8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.898 1.559 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.490 0.226 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.999 -0.536 8.410 1.00 0.00 H new ATOM 809 N THR A 53 61.484 3.456 11.663 1.00 0.00 N ATOM 810 CA THR A 53 60.411 4.443 11.976 1.00 0.00 C ATOM 811 C THR A 53 60.335 5.506 10.877 1.00 0.00 C ATOM 812 O THR A 53 61.262 5.674 10.109 1.00 0.00 O ATOM 813 CB THR A 53 60.830 5.073 13.305 1.00 0.00 C ATOM 814 OG1 THR A 53 62.222 4.872 13.504 1.00 0.00 O ATOM 815 CG2 THR A 53 60.050 4.424 14.449 1.00 0.00 C ATOM 0 H THR A 53 62.434 3.770 11.863 1.00 0.00 H new ATOM 0 HA THR A 53 59.426 3.979 12.037 1.00 0.00 H new ATOM 0 HB THR A 53 60.616 6.142 13.284 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.493 5.277 14.355 1.00 0.00 H new ATOM 0 HG21 THR A 53 60.350 4.874 15.395 1.00 0.00 H new ATOM 0 HG22 THR A 53 58.982 4.580 14.295 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.261 3.355 14.473 1.00 0.00 H new ATOM 823 N PRO A 54 59.225 6.191 10.842 1.00 0.00 N ATOM 824 CA PRO A 54 59.016 7.255 9.828 1.00 0.00 C ATOM 825 C PRO A 54 59.863 8.487 10.161 1.00 0.00 C ATOM 826 O PRO A 54 60.390 9.144 9.286 1.00 0.00 O ATOM 827 CB PRO A 54 57.528 7.572 9.944 1.00 0.00 C ATOM 828 CG PRO A 54 57.154 7.171 11.336 1.00 0.00 C ATOM 829 CD PRO A 54 58.070 6.042 11.734 1.00 0.00 C ATOM 0 HA PRO A 54 59.306 6.951 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 54 57.336 8.631 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 54 56.948 7.020 9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.260 8.012 12.021 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.112 6.855 11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.362 6.116 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.588 5.073 11.605 1.00 0.00 H new ATOM 837 N GLU A 55 59.997 8.804 11.420 1.00 0.00 N ATOM 838 CA GLU A 55 60.809 9.994 11.807 1.00 0.00 C ATOM 839 C GLU A 55 62.286 9.754 11.484 1.00 0.00 C ATOM 840 O GLU A 55 62.995 10.652 11.074 1.00 0.00 O ATOM 841 CB GLU A 55 60.605 10.138 13.316 1.00 0.00 C ATOM 842 CG GLU A 55 60.085 11.542 13.629 1.00 0.00 C ATOM 843 CD GLU A 55 60.205 11.807 15.131 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.484 11.173 15.884 1.00 0.00 O ATOM 845 OE2 GLU A 55 61.016 12.639 15.503 1.00 0.00 O ATOM 0 H GLU A 55 59.580 8.291 12.197 1.00 0.00 H new ATOM 0 HA GLU A 55 60.509 10.893 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.897 9.389 13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.545 9.962 13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 60.655 12.285 13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 59.046 11.635 13.314 1.00 0.00 H new ATOM 852 N GLU A 56 62.756 8.551 11.666 1.00 0.00 N ATOM 853 CA GLU A 56 64.187 8.257 11.369 1.00 0.00 C ATOM 854 C GLU A 56 64.393 8.106 9.859 1.00 0.00 C ATOM 855 O GLU A 56 65.492 8.233 9.356 1.00 0.00 O ATOM 856 CB GLU A 56 64.479 6.936 12.083 1.00 0.00 C ATOM 857 CG GLU A 56 65.584 7.150 13.119 1.00 0.00 C ATOM 858 CD GLU A 56 66.222 5.805 13.472 1.00 0.00 C ATOM 859 OE1 GLU A 56 65.518 4.957 13.995 1.00 0.00 O ATOM 860 OE2 GLU A 56 67.402 5.645 13.212 1.00 0.00 O ATOM 0 H GLU A 56 62.212 7.759 12.007 1.00 0.00 H new ATOM 0 HA GLU A 56 64.849 9.056 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.576 6.566 12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.785 6.179 11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.339 7.830 12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.172 7.615 14.015 1.00 0.00 H new ATOM 867 N LEU A 57 63.344 7.834 9.133 1.00 0.00 N ATOM 868 CA LEU A 57 63.480 7.674 7.656 1.00 0.00 C ATOM 869 C LEU A 57 64.146 8.911 7.049 1.00 0.00 C ATOM 870 O LEU A 57 65.134 8.813 6.348 1.00 0.00 O ATOM 871 CB LEU A 57 62.047 7.529 7.140 1.00 0.00 C ATOM 872 CG LEU A 57 61.905 6.201 6.396 1.00 0.00 C ATOM 873 CD1 LEU A 57 62.769 6.227 5.134 1.00 0.00 C ATOM 874 CD2 LEU A 57 62.366 5.056 7.302 1.00 0.00 C ATOM 0 H LEU A 57 62.399 7.715 9.497 1.00 0.00 H new ATOM 0 HA LEU A 57 64.099 6.817 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 57 61.344 7.569 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 57 61.803 8.358 6.476 1.00 0.00 H new ATOM 0 HG LEU A 57 60.861 6.051 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 57 62.667 5.280 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 57 62.444 7.042 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 57 63.812 6.378 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 57 62.265 4.109 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 57 63.410 5.208 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 57 61.752 5.035 8.203 1.00 0.00 H new ATOM 886 N GLN A 58 63.615 10.073 7.311 1.00 0.00 N ATOM 887 CA GLN A 58 64.220 11.314 6.745 1.00 0.00 C ATOM 888 C GLN A 58 65.608 11.549 7.347 1.00 0.00 C ATOM 889 O GLN A 58 66.462 12.164 6.739 1.00 0.00 O ATOM 890 CB GLN A 58 63.264 12.438 7.147 1.00 0.00 C ATOM 891 CG GLN A 58 61.896 12.201 6.503 1.00 0.00 C ATOM 892 CD GLN A 58 62.020 12.314 4.982 1.00 0.00 C ATOM 893 OE1 GLN A 58 61.721 11.379 4.266 1.00 0.00 O ATOM 894 NE2 GLN A 58 62.451 13.427 4.456 1.00 0.00 N ATOM 0 H GLN A 58 62.789 10.218 7.892 1.00 0.00 H new ATOM 0 HA GLN A 58 64.349 11.255 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.165 12.475 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.665 13.401 6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 58 61.520 11.215 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.176 12.930 6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 58 62.702 14.212 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.537 13.513 3.443 1.00 0.00 H new ATOM 903 N GLU A 59 65.840 11.064 8.536 1.00 0.00 N ATOM 904 CA GLU A 59 67.173 11.261 9.174 1.00 0.00 C ATOM 905 C GLU A 59 68.272 10.649 8.303 1.00 0.00 C ATOM 906 O GLU A 59 69.275 11.276 8.022 1.00 0.00 O ATOM 907 CB GLU A 59 67.081 10.529 10.514 1.00 0.00 C ATOM 908 CG GLU A 59 67.764 11.363 11.599 1.00 0.00 C ATOM 909 CD GLU A 59 66.775 11.636 12.733 1.00 0.00 C ATOM 910 OE1 GLU A 59 65.587 11.480 12.507 1.00 0.00 O ATOM 911 OE2 GLU A 59 67.223 11.999 13.808 1.00 0.00 O ATOM 0 H GLU A 59 65.165 10.540 9.093 1.00 0.00 H new ATOM 0 HA GLU A 59 67.419 12.315 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.037 10.357 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.556 9.551 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 59 68.637 10.835 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 59 68.120 12.304 11.179 1.00 0.00 H new ATOM 918 N MET A 60 68.093 9.429 7.876 1.00 0.00 N ATOM 919 CA MET A 60 69.130 8.780 7.024 1.00 0.00 C ATOM 920 C MET A 60 69.128 9.395 5.623 1.00 0.00 C ATOM 921 O MET A 60 70.159 9.768 5.097 1.00 0.00 O ATOM 922 CB MET A 60 68.728 7.306 6.966 1.00 0.00 C ATOM 923 CG MET A 60 69.192 6.599 8.242 1.00 0.00 C ATOM 924 SD MET A 60 69.801 4.946 7.831 1.00 0.00 S ATOM 925 CE MET A 60 68.290 4.039 8.241 1.00 0.00 C ATOM 0 H MET A 60 67.275 8.854 8.080 1.00 0.00 H new ATOM 0 HA MET A 60 70.135 8.913 7.424 1.00 0.00 H new ATOM 0 HB2 MET A 60 67.647 7.217 6.861 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.173 6.831 6.092 1.00 0.00 H new ATOM 0 HG2 MET A 60 69.979 7.178 8.725 1.00 0.00 H new ATOM 0 HG3 MET A 60 68.367 6.528 8.951 1.00 0.00 H new ATOM 0 HE1 MET A 60 68.443 2.975 8.059 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.045 4.196 9.292 1.00 0.00 H new ATOM 0 HE3 MET A 60 67.470 4.399 7.620 1.00 0.00 H new ATOM 935 N ILE A 61 67.980 9.506 5.012 1.00 0.00 N ATOM 936 CA ILE A 61 67.919 10.100 3.646 1.00 0.00 C ATOM 937 C ILE A 61 68.622 11.460 3.631 1.00 0.00 C ATOM 938 O ILE A 61 69.188 11.867 2.636 1.00 0.00 O ATOM 939 CB ILE A 61 66.428 10.262 3.347 1.00 0.00 C ATOM 940 CG1 ILE A 61 65.773 8.882 3.267 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.250 10.989 2.012 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.252 9.039 3.219 1.00 0.00 C ATOM 0 H ILE A 61 67.083 9.212 5.399 1.00 0.00 H new ATOM 0 HA ILE A 61 68.416 9.477 2.902 1.00 0.00 H new ATOM 0 HB ILE A 61 65.959 10.843 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.122 8.353 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.060 8.281 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.187 11.104 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.718 11.972 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 61 66.718 10.409 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.786 8.055 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.910 9.551 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.974 9.623 2.342 1.00 0.00 H new ATOM 954 N ASP A 62 68.592 12.164 4.730 1.00 0.00 N ATOM 955 CA ASP A 62 69.260 13.495 4.779 1.00 0.00 C ATOM 956 C ASP A 62 70.753 13.346 4.472 1.00 0.00 C ATOM 957 O ASP A 62 71.252 13.876 3.499 1.00 0.00 O ATOM 958 CB ASP A 62 69.054 13.988 6.212 1.00 0.00 C ATOM 959 CG ASP A 62 68.078 15.167 6.212 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.515 16.272 5.936 1.00 0.00 O ATOM 961 OD2 ASP A 62 66.910 14.943 6.486 1.00 0.00 O ATOM 0 H ASP A 62 68.134 11.875 5.595 1.00 0.00 H new ATOM 0 HA ASP A 62 68.852 14.191 4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.666 13.181 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 62 70.008 14.292 6.644 1.00 0.00 H new ATOM 966 N GLU A 63 71.468 12.626 5.293 1.00 0.00 N ATOM 967 CA GLU A 63 72.928 12.440 5.045 1.00 0.00 C ATOM 968 C GLU A 63 73.146 11.591 3.791 1.00 0.00 C ATOM 969 O GLU A 63 74.194 11.629 3.178 1.00 0.00 O ATOM 970 CB GLU A 63 73.450 11.711 6.284 1.00 0.00 C ATOM 971 CG GLU A 63 72.689 10.394 6.456 1.00 0.00 C ATOM 972 CD GLU A 63 73.621 9.339 7.054 1.00 0.00 C ATOM 973 OE1 GLU A 63 74.268 8.644 6.286 1.00 0.00 O ATOM 974 OE2 GLU A 63 73.673 9.243 8.269 1.00 0.00 O ATOM 0 H GLU A 63 71.106 12.159 6.124 1.00 0.00 H new ATOM 0 HA GLU A 63 73.444 13.386 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 63 74.518 11.516 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 63 73.323 12.336 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 63 71.827 10.543 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.308 10.054 5.493 1.00 0.00 H new ATOM 981 N VAL A 64 72.163 10.824 3.407 1.00 0.00 N ATOM 982 CA VAL A 64 72.312 9.971 2.194 1.00 0.00 C ATOM 983 C VAL A 64 71.995 10.785 0.937 1.00 0.00 C ATOM 984 O VAL A 64 72.700 10.721 -0.051 1.00 0.00 O ATOM 985 CB VAL A 64 71.296 8.845 2.376 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.175 8.050 1.075 1.00 0.00 C ATOM 987 CG2 VAL A 64 71.762 7.916 3.500 1.00 0.00 C ATOM 0 H VAL A 64 71.263 10.751 3.881 1.00 0.00 H new ATOM 0 HA VAL A 64 73.326 9.588 2.077 1.00 0.00 H new ATOM 0 HB VAL A 64 70.325 9.270 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.450 7.247 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.844 8.711 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.145 7.625 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.038 7.112 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.733 7.492 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.848 8.482 4.428 1.00 0.00 H new ATOM 997 N ASP A 65 70.941 11.553 0.966 1.00 0.00 N ATOM 998 CA ASP A 65 70.580 12.372 -0.226 1.00 0.00 C ATOM 999 C ASP A 65 70.852 13.852 0.056 1.00 0.00 C ATOM 1000 O ASP A 65 70.111 14.720 -0.359 1.00 0.00 O ATOM 1001 CB ASP A 65 69.086 12.130 -0.437 1.00 0.00 C ATOM 1002 CG ASP A 65 68.890 10.910 -1.340 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.899 9.806 -0.823 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.736 11.103 -2.535 1.00 0.00 O ATOM 0 H ASP A 65 70.313 11.649 1.764 1.00 0.00 H new ATOM 0 HA ASP A 65 71.161 12.102 -1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.594 11.969 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.625 13.008 -0.889 1.00 0.00 H new ATOM 1009 N GLU A 66 71.911 14.144 0.760 1.00 0.00 N ATOM 1010 CA GLU A 66 72.234 15.567 1.071 1.00 0.00 C ATOM 1011 C GLU A 66 72.014 16.445 -0.163 1.00 0.00 C ATOM 1012 O GLU A 66 71.642 17.597 -0.059 1.00 0.00 O ATOM 1013 CB GLU A 66 73.711 15.559 1.470 1.00 0.00 C ATOM 1014 CG GLU A 66 74.577 15.365 0.224 1.00 0.00 C ATOM 1015 CD GLU A 66 76.053 15.344 0.628 1.00 0.00 C ATOM 1016 OE1 GLU A 66 76.335 14.951 1.748 1.00 0.00 O ATOM 1017 OE2 GLU A 66 76.876 15.721 -0.191 1.00 0.00 O ATOM 0 H GLU A 66 72.568 13.459 1.134 1.00 0.00 H new ATOM 0 HA GLU A 66 71.600 15.971 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 73.970 16.496 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.901 14.759 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.312 14.433 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.395 16.170 -0.488 1.00 0.00 H new ATOM 1024 N ASP A 67 72.240 15.911 -1.333 1.00 0.00 N ATOM 1025 CA ASP A 67 72.043 16.717 -2.571 1.00 0.00 C ATOM 1026 C ASP A 67 70.586 17.171 -2.683 1.00 0.00 C ATOM 1027 O ASP A 67 70.290 18.208 -3.244 1.00 0.00 O ATOM 1028 CB ASP A 67 72.400 15.774 -3.720 1.00 0.00 C ATOM 1029 CG ASP A 67 73.920 15.622 -3.804 1.00 0.00 C ATOM 1030 OD1 ASP A 67 74.522 15.314 -2.788 1.00 0.00 O ATOM 1031 OD2 ASP A 67 74.457 15.816 -4.882 1.00 0.00 O ATOM 0 H ASP A 67 72.552 14.952 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 67 72.657 17.618 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.935 14.801 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.011 16.166 -4.660 1.00 0.00 H new ATOM 1036 N GLY A 68 69.673 16.404 -2.154 1.00 0.00 N ATOM 1037 CA GLY A 68 68.236 16.793 -2.232 1.00 0.00 C ATOM 1038 C GLY A 68 67.555 16.010 -3.356 1.00 0.00 C ATOM 1039 O GLY A 68 66.661 16.503 -4.015 1.00 0.00 O ATOM 0 H GLY A 68 69.859 15.525 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 68 67.741 16.590 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.148 17.864 -2.415 1.00 0.00 H new ATOM 1043 N SER A 69 67.971 14.794 -3.580 1.00 0.00 N ATOM 1044 CA SER A 69 67.346 13.979 -4.662 1.00 0.00 C ATOM 1045 C SER A 69 66.129 13.226 -4.121 1.00 0.00 C ATOM 1046 O SER A 69 65.156 13.016 -4.819 1.00 0.00 O ATOM 1047 CB SER A 69 68.433 12.998 -5.097 1.00 0.00 C ATOM 1048 OG SER A 69 69.444 13.702 -5.808 1.00 0.00 O ATOM 0 H SER A 69 68.716 14.329 -3.061 1.00 0.00 H new ATOM 0 HA SER A 69 66.996 14.593 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.862 12.503 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 69 68.005 12.219 -5.727 1.00 0.00 H new ATOM 0 HG SER A 69 70.144 13.076 -6.087 1.00 0.00 H new ATOM 1054 N GLY A 70 66.174 12.819 -2.882 1.00 0.00 N ATOM 1055 CA GLY A 70 65.020 12.080 -2.297 1.00 0.00 C ATOM 1056 C GLY A 70 64.761 10.809 -3.108 1.00 0.00 C ATOM 1057 O GLY A 70 63.632 10.404 -3.301 1.00 0.00 O ATOM 0 H GLY A 70 66.960 12.966 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.228 11.825 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 64.132 12.712 -2.299 1.00 0.00 H new ATOM 1061 N THR A 71 65.797 10.176 -3.586 1.00 0.00 N ATOM 1062 CA THR A 71 65.606 8.932 -4.385 1.00 0.00 C ATOM 1063 C THR A 71 66.830 8.021 -4.252 1.00 0.00 C ATOM 1064 O THR A 71 67.956 8.450 -4.415 1.00 0.00 O ATOM 1065 CB THR A 71 65.447 9.407 -5.829 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.173 10.616 -6.009 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.968 9.648 -6.129 1.00 0.00 C ATOM 0 H THR A 71 66.767 10.466 -3.458 1.00 0.00 H new ATOM 0 HA THR A 71 64.744 8.356 -4.048 1.00 0.00 H new ATOM 0 HB THR A 71 65.832 8.646 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.641 11.369 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.856 9.987 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.413 8.720 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.579 10.409 -5.453 1.00 0.00 H new ATOM 1075 N VAL A 72 66.618 6.770 -3.953 1.00 0.00 N ATOM 1076 CA VAL A 72 67.771 5.832 -3.806 1.00 0.00 C ATOM 1077 C VAL A 72 67.764 4.777 -4.912 1.00 0.00 C ATOM 1078 O VAL A 72 66.725 4.332 -5.359 1.00 0.00 O ATOM 1079 CB VAL A 72 67.593 5.159 -2.442 1.00 0.00 C ATOM 1080 CG1 VAL A 72 68.165 6.067 -1.361 1.00 0.00 C ATOM 1081 CG2 VAL A 72 66.109 4.905 -2.161 1.00 0.00 C ATOM 0 H VAL A 72 65.698 6.355 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 72 68.719 6.365 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 72 68.117 4.203 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 72 68.042 5.595 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 72 69.225 6.236 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.638 7.021 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 72 66.000 4.426 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.571 5.853 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.699 4.255 -2.933 1.00 0.00 H new ATOM 1091 N ASP A 73 68.924 4.364 -5.339 1.00 0.00 N ATOM 1092 CA ASP A 73 69.007 3.323 -6.400 1.00 0.00 C ATOM 1093 C ASP A 73 69.530 2.024 -5.785 1.00 0.00 C ATOM 1094 O ASP A 73 69.728 1.935 -4.589 1.00 0.00 O ATOM 1095 CB ASP A 73 69.998 3.875 -7.425 1.00 0.00 C ATOM 1096 CG ASP A 73 71.248 4.383 -6.706 1.00 0.00 C ATOM 1097 OD1 ASP A 73 72.113 3.572 -6.419 1.00 0.00 O ATOM 1098 OD2 ASP A 73 71.320 5.575 -6.455 1.00 0.00 O ATOM 0 H ASP A 73 69.823 4.705 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 73 68.042 3.105 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.268 3.098 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 73 69.538 4.684 -7.992 1.00 0.00 H new ATOM 1103 N PHE A 74 69.761 1.017 -6.578 1.00 0.00 N ATOM 1104 CA PHE A 74 70.274 -0.259 -6.005 1.00 0.00 C ATOM 1105 C PHE A 74 71.636 -0.023 -5.350 1.00 0.00 C ATOM 1106 O PHE A 74 72.112 -0.827 -4.574 1.00 0.00 O ATOM 1107 CB PHE A 74 70.401 -1.215 -7.191 1.00 0.00 C ATOM 1108 CG PHE A 74 70.134 -2.627 -6.725 1.00 0.00 C ATOM 1109 CD1 PHE A 74 71.152 -3.363 -6.105 1.00 0.00 C ATOM 1110 CD2 PHE A 74 68.871 -3.198 -6.912 1.00 0.00 C ATOM 1111 CE1 PHE A 74 70.904 -4.671 -5.671 1.00 0.00 C ATOM 1112 CE2 PHE A 74 68.623 -4.506 -6.479 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.640 -5.242 -5.858 1.00 0.00 C ATOM 0 H PHE A 74 69.619 1.020 -7.588 1.00 0.00 H new ATOM 0 HA PHE A 74 69.614 -0.663 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.694 -0.938 -7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.399 -1.145 -7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 74 72.127 -2.922 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 74 68.087 -2.630 -7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 74 71.688 -5.239 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 74 67.648 -4.947 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.449 -6.251 -5.523 1.00 0.00 H new ATOM 1123 N ASP A 75 72.264 1.079 -5.651 1.00 0.00 N ATOM 1124 CA ASP A 75 73.591 1.371 -5.040 1.00 0.00 C ATOM 1125 C ASP A 75 73.403 2.084 -3.698 1.00 0.00 C ATOM 1126 O ASP A 75 74.043 1.762 -2.718 1.00 0.00 O ATOM 1127 CB ASP A 75 74.300 2.283 -6.040 1.00 0.00 C ATOM 1128 CG ASP A 75 75.731 1.788 -6.260 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.478 1.746 -5.295 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.056 1.458 -7.389 1.00 0.00 O ATOM 0 H ASP A 75 71.916 1.790 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 75 74.165 0.466 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.758 2.293 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.312 3.308 -5.668 1.00 0.00 H new ATOM 1135 N GLU A 76 72.522 3.048 -3.645 1.00 0.00 N ATOM 1136 CA GLU A 76 72.291 3.775 -2.365 1.00 0.00 C ATOM 1137 C GLU A 76 71.388 2.943 -1.453 1.00 0.00 C ATOM 1138 O GLU A 76 71.675 2.746 -0.289 1.00 0.00 O ATOM 1139 CB GLU A 76 71.599 5.077 -2.766 1.00 0.00 C ATOM 1140 CG GLU A 76 72.407 5.764 -3.871 1.00 0.00 C ATOM 1141 CD GLU A 76 73.736 6.259 -3.299 1.00 0.00 C ATOM 1142 OE1 GLU A 76 73.823 6.398 -2.090 1.00 0.00 O ATOM 1143 OE2 GLU A 76 74.645 6.489 -4.080 1.00 0.00 O ATOM 0 H GLU A 76 71.954 3.362 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 76 73.215 3.962 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.587 4.871 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.511 5.736 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.588 5.068 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.842 6.600 -4.283 1.00 0.00 H new ATOM 1150 N PHE A 77 70.298 2.448 -1.975 1.00 0.00 N ATOM 1151 CA PHE A 77 69.380 1.623 -1.141 1.00 0.00 C ATOM 1152 C PHE A 77 70.155 0.465 -0.504 1.00 0.00 C ATOM 1153 O PHE A 77 69.985 0.157 0.659 1.00 0.00 O ATOM 1154 CB PHE A 77 68.326 1.098 -2.119 1.00 0.00 C ATOM 1155 CG PHE A 77 67.605 -0.080 -1.509 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.861 0.086 -0.334 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.681 -1.339 -2.118 1.00 0.00 C ATOM 1158 CE1 PHE A 77 66.193 -1.007 0.231 1.00 0.00 C ATOM 1159 CE2 PHE A 77 67.014 -2.430 -1.552 1.00 0.00 C ATOM 1160 CZ PHE A 77 66.269 -2.266 -0.379 1.00 0.00 C ATOM 0 H PHE A 77 70.004 2.580 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 77 68.929 2.190 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.614 1.888 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.800 0.801 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.803 1.057 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 77 68.254 -1.467 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.619 -0.880 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 77 67.074 -3.401 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.753 -3.109 0.056 1.00 0.00 H new ATOM 1170 N LEU A 78 71.007 -0.174 -1.257 1.00 0.00 N ATOM 1171 CA LEU A 78 71.795 -1.308 -0.695 1.00 0.00 C ATOM 1172 C LEU A 78 72.561 -0.848 0.549 1.00 0.00 C ATOM 1173 O LEU A 78 72.500 -1.468 1.592 1.00 0.00 O ATOM 1174 CB LEU A 78 72.767 -1.705 -1.807 1.00 0.00 C ATOM 1175 CG LEU A 78 72.226 -2.930 -2.544 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.310 -4.154 -1.629 1.00 0.00 C ATOM 1177 CD2 LEU A 78 70.767 -2.687 -2.935 1.00 0.00 C ATOM 0 H LEU A 78 71.192 0.040 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 78 71.163 -2.142 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.897 -0.877 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.748 -1.925 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 78 72.819 -3.105 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 78 71.924 -5.028 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.349 -4.328 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 71.717 -3.979 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 78 70.381 -3.560 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 78 70.174 -2.512 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 78 70.705 -1.815 -3.586 1.00 0.00 H new ATOM 1189 N VAL A 79 73.278 0.238 0.446 1.00 0.00 N ATOM 1190 CA VAL A 79 74.044 0.740 1.621 1.00 0.00 C ATOM 1191 C VAL A 79 73.107 0.935 2.816 1.00 0.00 C ATOM 1192 O VAL A 79 73.241 0.286 3.834 1.00 0.00 O ATOM 1193 CB VAL A 79 74.627 2.080 1.173 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.334 2.751 2.351 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.633 1.845 0.043 1.00 0.00 C ATOM 0 H VAL A 79 73.366 0.799 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 79 74.821 0.044 1.935 1.00 0.00 H new ATOM 0 HB VAL A 79 73.823 2.724 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.749 3.706 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.619 2.918 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 79 76.138 2.107 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 76.050 2.800 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.436 1.200 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 79 75.130 1.368 -0.798 1.00 0.00 H new ATOM 1205 N MET A 80 72.157 1.820 2.698 1.00 0.00 N ATOM 1206 CA MET A 80 71.212 2.049 3.828 1.00 0.00 C ATOM 1207 C MET A 80 70.650 0.712 4.320 1.00 0.00 C ATOM 1208 O MET A 80 70.300 0.562 5.474 1.00 0.00 O ATOM 1209 CB MET A 80 70.099 2.918 3.243 1.00 0.00 C ATOM 1210 CG MET A 80 70.461 4.394 3.410 1.00 0.00 C ATOM 1211 SD MET A 80 68.991 5.322 3.914 1.00 0.00 S ATOM 1212 CE MET A 80 68.464 5.829 2.259 1.00 0.00 C ATOM 0 H MET A 80 71.994 2.394 1.871 1.00 0.00 H new ATOM 0 HA MET A 80 71.693 2.526 4.682 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.958 2.685 2.188 1.00 0.00 H new ATOM 0 HB3 MET A 80 69.155 2.705 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 80 71.248 4.504 4.156 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.852 4.792 2.474 1.00 0.00 H new ATOM 0 HE1 MET A 80 68.447 6.917 2.200 1.00 0.00 H new ATOM 0 HE2 MET A 80 69.161 5.436 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 80 67.466 5.439 2.060 1.00 0.00 H new ATOM 1222 N MET A 81 70.561 -0.258 3.451 1.00 0.00 N ATOM 1223 CA MET A 81 70.021 -1.585 3.865 1.00 0.00 C ATOM 1224 C MET A 81 71.096 -2.390 4.603 1.00 0.00 C ATOM 1225 O MET A 81 70.852 -2.949 5.654 1.00 0.00 O ATOM 1226 CB MET A 81 69.636 -2.278 2.558 1.00 0.00 C ATOM 1227 CG MET A 81 68.121 -2.484 2.518 1.00 0.00 C ATOM 1228 SD MET A 81 67.602 -3.440 3.963 1.00 0.00 S ATOM 1229 CE MET A 81 68.875 -4.722 3.851 1.00 0.00 C ATOM 0 H MET A 81 70.839 -0.189 2.472 1.00 0.00 H new ATOM 0 HA MET A 81 69.174 -1.492 4.544 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.955 -1.676 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.147 -3.238 2.479 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.613 -1.520 2.505 1.00 0.00 H new ATOM 0 HG3 MET A 81 67.838 -3.005 1.603 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.419 -5.701 3.998 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.344 -4.684 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.629 -4.554 4.620 1.00 0.00 H new ATOM 1239 N VAL A 82 72.281 -2.457 4.061 1.00 0.00 N ATOM 1240 CA VAL A 82 73.365 -3.231 4.733 1.00 0.00 C ATOM 1241 C VAL A 82 73.746 -2.567 6.060 1.00 0.00 C ATOM 1242 O VAL A 82 74.468 -3.127 6.861 1.00 0.00 O ATOM 1243 CB VAL A 82 74.541 -3.203 3.751 1.00 0.00 C ATOM 1244 CG1 VAL A 82 75.244 -1.846 3.819 1.00 0.00 C ATOM 1245 CG2 VAL A 82 75.535 -4.307 4.117 1.00 0.00 C ATOM 0 H VAL A 82 72.546 -2.010 3.183 1.00 0.00 H new ATOM 0 HA VAL A 82 73.061 -4.251 4.969 1.00 0.00 H new ATOM 0 HB VAL A 82 74.167 -3.364 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 82 76.079 -1.833 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.539 -1.057 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 82 75.616 -1.679 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 82 76.372 -4.289 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 82 75.903 -4.144 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 82 75.039 -5.276 4.063 1.00 0.00 H new ATOM 1255 N ARG A 83 73.264 -1.378 6.300 1.00 0.00 N ATOM 1256 CA ARG A 83 73.597 -0.680 7.575 1.00 0.00 C ATOM 1257 C ARG A 83 72.535 -0.987 8.635 1.00 0.00 C ATOM 1258 O ARG A 83 72.782 -0.893 9.821 1.00 0.00 O ATOM 1259 CB ARG A 83 73.592 0.809 7.226 1.00 0.00 C ATOM 1260 CG ARG A 83 74.514 1.562 8.186 1.00 0.00 C ATOM 1261 CD ARG A 83 73.916 2.936 8.499 1.00 0.00 C ATOM 1262 NE ARG A 83 74.684 3.430 9.676 1.00 0.00 N ATOM 1263 CZ ARG A 83 74.672 4.700 9.978 1.00 0.00 C ATOM 1264 NH1 ARG A 83 73.619 5.226 10.542 1.00 0.00 N ATOM 1265 NH2 ARG A 83 75.711 5.443 9.715 1.00 0.00 N ATOM 0 H ARG A 83 72.654 -0.859 5.668 1.00 0.00 H new ATOM 0 HA ARG A 83 74.556 -0.998 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.924 0.953 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.579 1.205 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 74.642 0.992 9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 83 75.503 1.677 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 83 74.015 3.613 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 83 72.852 2.862 8.724 1.00 0.00 H new ATOM 0 HE ARG A 83 75.220 2.776 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 83 72.806 4.645 10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 73.609 6.218 10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 83 76.533 5.032 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 75.701 6.435 9.951 1.00 0.00 H new ATOM 1279 N CYS A 84 71.354 -1.351 8.215 1.00 0.00 N ATOM 1280 CA CYS A 84 70.276 -1.663 9.197 1.00 0.00 C ATOM 1281 C CYS A 84 70.452 -3.083 9.743 1.00 0.00 C ATOM 1282 O CYS A 84 69.704 -3.530 10.589 1.00 0.00 O ATOM 1283 CB CYS A 84 68.974 -1.551 8.404 1.00 0.00 C ATOM 1284 SG CYS A 84 67.791 -0.538 9.326 1.00 0.00 S ATOM 0 H CYS A 84 71.089 -1.446 7.235 1.00 0.00 H new ATOM 0 HA CYS A 84 70.291 -0.990 10.054 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.167 -1.106 7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.558 -2.543 8.225 1.00 0.00 H new ATOM 0 HG CYS A 84 66.684 -0.441 8.651 1.00 0.00 H new ATOM 1290 N MET A 85 71.434 -3.796 9.263 1.00 0.00 N ATOM 1291 CA MET A 85 71.655 -5.186 9.755 1.00 0.00 C ATOM 1292 C MET A 85 71.741 -5.199 11.284 1.00 0.00 C ATOM 1293 O MET A 85 72.503 -4.463 11.879 1.00 0.00 O ATOM 1294 CB MET A 85 72.987 -5.618 9.139 1.00 0.00 C ATOM 1295 CG MET A 85 72.797 -5.888 7.645 1.00 0.00 C ATOM 1296 SD MET A 85 73.857 -7.265 7.143 1.00 0.00 S ATOM 1297 CE MET A 85 72.722 -7.999 5.940 1.00 0.00 C ATOM 0 H MET A 85 72.092 -3.477 8.552 1.00 0.00 H new ATOM 0 HA MET A 85 70.841 -5.856 9.477 1.00 0.00 H new ATOM 0 HB2 MET A 85 73.737 -4.840 9.286 1.00 0.00 H new ATOM 0 HB3 MET A 85 73.356 -6.515 9.637 1.00 0.00 H new ATOM 0 HG2 MET A 85 71.753 -6.124 7.437 1.00 0.00 H new ATOM 0 HG3 MET A 85 73.044 -4.996 7.069 1.00 0.00 H new ATOM 0 HE1 MET A 85 73.182 -8.882 5.497 1.00 0.00 H new ATOM 0 HE2 MET A 85 71.796 -8.284 6.440 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.502 -7.273 5.157 1.00 0.00 H new ATOM 1307 N LYS A 86 70.965 -6.031 11.923 1.00 0.00 N ATOM 1308 CA LYS A 86 71.003 -6.090 13.413 1.00 0.00 C ATOM 1309 C LYS A 86 70.518 -7.458 13.900 1.00 0.00 C ATOM 1310 O LYS A 86 69.675 -7.555 14.770 1.00 0.00 O ATOM 1311 CB LYS A 86 70.051 -4.986 13.878 1.00 0.00 C ATOM 1312 CG LYS A 86 68.608 -5.398 13.584 1.00 0.00 C ATOM 1313 CD LYS A 86 67.818 -5.455 14.894 1.00 0.00 C ATOM 1314 CE LYS A 86 66.385 -5.909 14.606 1.00 0.00 C ATOM 1315 NZ LYS A 86 65.545 -4.701 14.841 1.00 0.00 N ATOM 0 H LYS A 86 70.307 -6.672 11.479 1.00 0.00 H new ATOM 0 HA LYS A 86 72.010 -5.952 13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 86 70.179 -4.807 14.946 1.00 0.00 H new ATOM 0 HB3 LYS A 86 70.284 -4.051 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 86 68.147 -4.686 12.899 1.00 0.00 H new ATOM 0 HG3 LYS A 86 68.589 -6.371 13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 86 68.296 -6.144 15.590 1.00 0.00 H new ATOM 0 HD3 LYS A 86 67.812 -4.475 15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 86 66.283 -6.268 13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 86 66.091 -6.728 15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 64.547 -4.932 14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 65.658 -4.386 15.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 65.843 -3.940 14.198 1.00 0.00 H new ATOM 1329 N ASP A 87 71.042 -8.517 13.345 1.00 0.00 N ATOM 1330 CA ASP A 87 70.611 -9.878 13.777 1.00 0.00 C ATOM 1331 C ASP A 87 71.302 -10.262 15.087 1.00 0.00 C ATOM 1332 O ASP A 87 72.131 -9.536 15.598 1.00 0.00 O ATOM 1333 CB ASP A 87 71.049 -10.808 12.645 1.00 0.00 C ATOM 1334 CG ASP A 87 69.817 -11.303 11.884 1.00 0.00 C ATOM 1335 OD1 ASP A 87 68.894 -10.523 11.720 1.00 0.00 O ATOM 1336 OD2 ASP A 87 69.819 -12.453 11.478 1.00 0.00 O ATOM 0 H ASP A 87 71.750 -8.499 12.611 1.00 0.00 H new ATOM 0 HA ASP A 87 69.538 -9.934 13.959 1.00 0.00 H new ATOM 0 HB2 ASP A 87 71.721 -10.281 11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 87 71.604 -11.654 13.050 1.00 0.00 H new ATOM 1341 N ASP A 88 70.966 -11.399 15.634 1.00 0.00 N ATOM 1342 CA ASP A 88 71.604 -11.828 16.910 1.00 0.00 C ATOM 1343 C ASP A 88 71.214 -10.875 18.043 1.00 0.00 C ATOM 1344 O ASP A 88 70.511 -11.244 18.964 1.00 0.00 O ATOM 1345 CB ASP A 88 73.108 -11.758 16.645 1.00 0.00 C ATOM 1346 CG ASP A 88 73.736 -13.132 16.890 1.00 0.00 C ATOM 1347 OD1 ASP A 88 73.144 -13.910 17.620 1.00 0.00 O ATOM 1348 OD2 ASP A 88 74.796 -13.382 16.343 1.00 0.00 O ATOM 0 H ASP A 88 70.278 -12.048 15.252 1.00 0.00 H new ATOM 0 HA ASP A 88 71.290 -12.827 17.213 1.00 0.00 H new ATOM 0 HB2 ASP A 88 73.292 -11.440 15.619 1.00 0.00 H new ATOM 0 HB3 ASP A 88 73.568 -11.015 17.296 1.00 0.00 H new ATOM 1353 N SER A 89 71.663 -9.652 17.982 1.00 0.00 N ATOM 1354 CA SER A 89 71.317 -8.675 19.054 1.00 0.00 C ATOM 1355 C SER A 89 70.292 -7.663 18.536 1.00 0.00 C ATOM 1356 O SER A 89 69.940 -6.769 19.287 1.00 0.00 O ATOM 1357 CB SER A 89 72.633 -7.977 19.394 1.00 0.00 C ATOM 1358 OG SER A 89 72.539 -7.407 20.693 1.00 0.00 O ATOM 1359 OXT SER A 89 69.877 -7.801 17.397 1.00 0.00 O ATOM 0 H SER A 89 72.255 -9.286 17.236 1.00 0.00 H new ATOM 0 HA SER A 89 70.875 -9.158 19.925 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.457 -8.690 19.356 1.00 0.00 H new ATOM 0 HB3 SER A 89 72.848 -7.202 18.659 1.00 0.00 H new ATOM 0 HG SER A 89 71.685 -6.935 20.782 1.00 0.00 H new TER 1365 SER A 89