USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 8 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 9 ASN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 12 SER OG : rot 72:sc= 1.21 USER MOD Single : A 13 TYR OH : rot 35:sc= 1.19 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= 1.13 (180deg=-0.0141) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 79:sc= 1.14 USER MOD Single : A 24 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.029) USER MOD Single : A 28 TYR OH : rot -167:sc= 0.00401 USER MOD Single : A 30 SER OG : rot -71:sc= 0.241 USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.195 F(o=-2.3!,f=-0.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 171:sc= 1.15 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.015) USER MOD Single : A 69 GLN : amide:sc= 0.889 K(o=0.89,f=-2.2!) USER MOD Single : A 74 SER OG : rot 49:sc= 0.0564 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 201 ASN : amide:sc= -0.0225 X(o=-0.023,f=0.071) USER MOD Single : B 203 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 204 MET CE :methyl -113:sc= -0.0162 (180deg=-0.36) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.568 44.662 39.768 1.00 0.00 N ATOM 53 CA VAL A 5 35.369 43.712 40.474 1.00 0.00 C ATOM 54 C VAL A 5 35.386 42.391 39.785 1.00 0.00 C ATOM 55 O VAL A 5 36.409 41.732 39.608 1.00 0.00 O ATOM 56 CB VAL A 5 34.827 43.561 41.865 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.562 42.455 42.640 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.970 44.921 42.570 1.00 0.00 C ATOM 0 HA VAL A 5 36.396 44.076 40.507 1.00 0.00 H new ATOM 0 HB VAL A 5 33.779 43.263 41.825 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.143 42.374 43.643 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.443 41.505 42.119 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.622 42.701 42.708 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.584 44.846 43.587 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.022 45.206 42.601 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.406 45.676 42.022 1.00 0.00 H new ATOM 68 N GLU A 6 34.193 41.939 39.361 1.00 0.00 N ATOM 69 CA GLU A 6 34.010 40.677 38.712 1.00 0.00 C ATOM 70 C GLU A 6 34.595 40.623 37.343 1.00 0.00 C ATOM 71 O GLU A 6 34.950 39.548 36.860 1.00 0.00 O ATOM 72 CB GLU A 6 32.523 40.284 38.699 1.00 0.00 C ATOM 73 CG GLU A 6 32.092 39.723 40.055 1.00 0.00 C ATOM 74 CD GLU A 6 30.581 39.804 40.219 1.00 0.00 C ATOM 75 OE1 GLU A 6 30.091 40.878 40.655 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.864 38.824 39.880 1.00 0.00 O ATOM 0 H GLU A 6 33.328 42.468 39.473 1.00 0.00 H new ATOM 0 HA GLU A 6 34.564 39.945 39.300 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.915 41.155 38.452 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.346 39.541 37.921 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.417 38.686 40.144 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.579 40.280 40.855 1.00 0.00 H new ATOM 83 N PHE A 7 34.848 41.796 36.735 1.00 0.00 N ATOM 84 CA PHE A 7 35.699 41.905 35.591 1.00 0.00 C ATOM 85 C PHE A 7 37.043 41.309 35.833 1.00 0.00 C ATOM 86 O PHE A 7 37.499 40.474 35.055 1.00 0.00 O ATOM 87 CB PHE A 7 35.811 43.380 35.168 1.00 0.00 C ATOM 88 CG PHE A 7 36.484 43.576 33.854 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.896 43.099 32.706 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.673 44.261 33.762 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.485 43.296 31.479 1.00 0.00 C ATOM 92 CE2 PHE A 7 38.268 44.466 32.539 1.00 0.00 C ATOM 93 CZ PHE A 7 37.672 43.986 31.397 1.00 0.00 C ATOM 0 H PHE A 7 34.454 42.685 37.044 1.00 0.00 H new ATOM 0 HA PHE A 7 35.250 41.334 34.778 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.812 43.813 35.123 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.361 43.928 35.933 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.960 42.563 32.769 1.00 0.00 H new ATOM 0 HD2 PHE A 7 38.143 44.641 34.657 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.018 42.911 30.585 1.00 0.00 H new ATOM 0 HE2 PHE A 7 39.203 45.004 32.476 1.00 0.00 H new ATOM 0 HZ PHE A 7 38.136 44.151 30.436 1.00 0.00 H new ATOM 103 N ASN A 8 37.695 41.623 36.967 1.00 0.00 N ATOM 104 CA ASN A 8 39.021 41.205 37.303 1.00 0.00 C ATOM 105 C ASN A 8 39.069 39.775 37.717 1.00 0.00 C ATOM 106 O ASN A 8 40.071 39.088 37.528 1.00 0.00 O ATOM 107 CB ASN A 8 39.587 42.013 38.483 1.00 0.00 C ATOM 108 CG ASN A 8 39.584 43.496 38.144 1.00 0.00 C ATOM 109 OD1 ASN A 8 38.702 44.244 38.562 1.00 0.00 O ATOM 110 ND2 ASN A 8 40.608 43.950 37.371 1.00 0.00 N ATOM 0 H ASN A 8 37.271 42.203 37.691 1.00 0.00 H new ATOM 0 HA ASN A 8 39.609 41.364 36.399 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.990 41.834 39.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.602 41.684 38.707 1.00 0.00 H new ATOM 0 HD21 ASN A 8 40.660 44.938 37.122 1.00 0.00 H new ATOM 0 HD22 ASN A 8 41.324 43.302 37.041 1.00 0.00 H new ATOM 117 N ASN A 9 37.965 39.249 38.279 1.00 0.00 N ATOM 118 CA ASN A 9 37.821 37.860 38.583 1.00 0.00 C ATOM 119 C ASN A 9 37.676 37.061 37.333 1.00 0.00 C ATOM 120 O ASN A 9 38.193 35.950 37.230 1.00 0.00 O ATOM 121 CB ASN A 9 36.641 37.604 39.536 1.00 0.00 C ATOM 122 CG ASN A 9 36.928 37.987 40.980 1.00 0.00 C ATOM 123 OD1 ASN A 9 36.919 37.115 41.848 1.00 0.00 O ATOM 124 ND2 ASN A 9 37.156 39.292 41.287 1.00 0.00 N ATOM 0 H ASN A 9 37.149 39.807 38.529 1.00 0.00 H new ATOM 0 HA ASN A 9 38.728 37.540 39.096 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.774 38.165 39.186 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.375 36.548 39.495 1.00 0.00 H new ATOM 0 HD21 ASN A 9 37.325 39.566 42.255 1.00 0.00 H new ATOM 0 HD22 ASN A 9 37.158 39.997 40.549 1.00 0.00 H new ATOM 131 N ALA A 10 37.034 37.628 36.296 1.00 0.00 N ATOM 132 CA ALA A 10 37.020 37.101 34.967 1.00 0.00 C ATOM 133 C ALA A 10 38.363 37.151 34.323 1.00 0.00 C ATOM 134 O ALA A 10 38.814 36.155 33.761 1.00 0.00 O ATOM 135 CB ALA A 10 35.932 37.771 34.109 1.00 0.00 C ATOM 0 H ALA A 10 36.501 38.493 36.388 1.00 0.00 H new ATOM 0 HA ALA A 10 36.763 36.045 35.043 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.948 37.348 33.105 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.955 37.598 34.560 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.121 38.843 34.054 1.00 0.00 H new ATOM 141 N ILE A 11 39.108 38.267 34.426 1.00 0.00 N ATOM 142 CA ILE A 11 40.444 38.411 33.937 1.00 0.00 C ATOM 143 C ILE A 11 41.367 37.372 34.474 1.00 0.00 C ATOM 144 O ILE A 11 42.062 36.680 33.730 1.00 0.00 O ATOM 145 CB ILE A 11 41.100 39.719 34.265 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.326 40.963 33.797 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.489 39.832 33.614 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.710 40.842 32.403 1.00 0.00 C ATOM 0 H ILE A 11 38.759 39.114 34.875 1.00 0.00 H new ATOM 0 HA ILE A 11 40.301 38.324 32.860 1.00 0.00 H new ATOM 0 HB ILE A 11 41.143 39.707 35.354 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.532 41.172 34.514 1.00 0.00 H new ATOM 0 HG13 ILE A 11 41.000 41.820 33.809 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.935 40.792 33.873 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.127 39.026 33.976 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.390 39.758 32.531 1.00 0.00 H new ATOM 0 HD11 ILE A 11 39.184 41.764 32.156 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.498 40.667 31.671 1.00 0.00 H new ATOM 0 HD13 ILE A 11 39.008 40.009 32.387 1.00 0.00 H new ATOM 160 N SER A 12 41.383 37.238 35.812 1.00 0.00 N ATOM 161 CA SER A 12 42.216 36.345 36.556 1.00 0.00 C ATOM 162 C SER A 12 42.077 34.921 36.142 1.00 0.00 C ATOM 163 O SER A 12 43.064 34.193 36.047 1.00 0.00 O ATOM 164 CB SER A 12 41.978 36.443 38.073 1.00 0.00 C ATOM 165 OG SER A 12 42.259 37.759 38.526 1.00 0.00 O ATOM 0 H SER A 12 40.773 37.791 36.414 1.00 0.00 H new ATOM 0 HA SER A 12 43.230 36.672 36.327 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.945 36.183 38.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.612 35.727 38.596 1.00 0.00 H new ATOM 0 HG SER A 12 41.553 38.367 38.222 1.00 0.00 H new ATOM 171 N TYR A 13 40.846 34.497 35.807 1.00 0.00 N ATOM 172 CA TYR A 13 40.539 33.204 35.276 1.00 0.00 C ATOM 173 C TYR A 13 41.130 32.976 33.929 1.00 0.00 C ATOM 174 O TYR A 13 41.858 32.007 33.718 1.00 0.00 O ATOM 175 CB TYR A 13 39.011 33.023 35.286 1.00 0.00 C ATOM 176 CG TYR A 13 38.500 31.705 34.815 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.208 30.531 34.909 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.257 31.695 34.226 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.709 29.374 34.357 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.765 30.554 33.639 1.00 0.00 C ATOM 181 CZ TYR A 13 37.506 29.397 33.691 1.00 0.00 C ATOM 182 OH TYR A 13 37.035 28.223 33.067 1.00 0.00 O ATOM 0 H TYR A 13 40.021 35.087 35.912 1.00 0.00 H new ATOM 0 HA TYR A 13 40.997 32.444 35.909 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.654 33.185 36.303 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.570 33.803 34.665 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.160 30.517 35.418 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.660 32.595 34.225 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.261 28.450 34.446 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.806 30.566 33.142 1.00 0.00 H new ATOM 0 HH TYR A 13 37.294 27.443 33.600 1.00 0.00 H new ATOM 192 N VAL A 14 40.899 33.867 32.948 1.00 0.00 N ATOM 193 CA VAL A 14 41.469 33.799 31.639 1.00 0.00 C ATOM 194 C VAL A 14 42.957 33.874 31.652 1.00 0.00 C ATOM 195 O VAL A 14 43.647 33.166 30.922 1.00 0.00 O ATOM 196 CB VAL A 14 40.951 34.878 30.735 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.408 34.626 29.288 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.413 34.845 30.730 1.00 0.00 C ATOM 0 H VAL A 14 40.286 34.672 33.074 1.00 0.00 H new ATOM 0 HA VAL A 14 41.166 32.825 31.255 1.00 0.00 H new ATOM 0 HB VAL A 14 41.329 35.835 31.096 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.025 35.417 28.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.497 34.619 29.246 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.026 33.663 28.948 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.034 35.628 30.074 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.071 33.874 30.371 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.042 35.009 31.742 1.00 0.00 H new ATOM 208 N ASN A 15 43.533 34.717 32.527 1.00 0.00 N ATOM 209 CA ASN A 15 44.940 34.751 32.784 1.00 0.00 C ATOM 210 C ASN A 15 45.511 33.474 33.298 1.00 0.00 C ATOM 211 O ASN A 15 46.574 33.042 32.856 1.00 0.00 O ATOM 212 CB ASN A 15 45.290 35.893 33.753 1.00 0.00 C ATOM 213 CG ASN A 15 46.786 36.175 33.763 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.433 36.222 32.718 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.369 36.354 34.978 1.00 0.00 N ATOM 0 H ASN A 15 43.004 35.397 33.073 1.00 0.00 H new ATOM 0 HA ASN A 15 45.397 34.920 31.809 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.750 36.795 33.465 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.961 35.632 34.759 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.371 36.533 35.041 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.804 36.309 35.826 1.00 0.00 H new ATOM 222 N LYS A 16 44.844 32.786 34.241 1.00 0.00 N ATOM 223 CA LYS A 16 45.203 31.490 34.727 1.00 0.00 C ATOM 224 C LYS A 16 45.300 30.467 33.648 1.00 0.00 C ATOM 225 O LYS A 16 46.282 29.734 33.548 1.00 0.00 O ATOM 226 CB LYS A 16 44.185 31.064 35.799 1.00 0.00 C ATOM 227 CG LYS A 16 44.747 30.129 36.871 1.00 0.00 C ATOM 228 CD LYS A 16 43.697 29.853 37.949 1.00 0.00 C ATOM 229 CE LYS A 16 44.223 29.102 39.173 1.00 0.00 C ATOM 230 NZ LYS A 16 43.116 28.852 40.124 1.00 0.00 N ATOM 0 H LYS A 16 44.006 33.156 34.690 1.00 0.00 H new ATOM 0 HA LYS A 16 46.201 31.557 35.159 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.792 31.957 36.284 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.345 30.571 35.309 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.062 29.191 36.414 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.632 30.576 37.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.273 30.802 38.276 1.00 0.00 H new ATOM 0 HD3 LYS A 16 42.884 29.277 37.507 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.671 28.157 38.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.007 29.683 39.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.407 29.141 41.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.280 29.400 39.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.882 27.839 40.126 1.00 0.00 H new ATOM 244 N ILE A 17 44.296 30.451 32.753 1.00 0.00 N ATOM 245 CA ILE A 17 44.206 29.705 31.536 1.00 0.00 C ATOM 246 C ILE A 17 45.310 30.025 30.588 1.00 0.00 C ATOM 247 O ILE A 17 46.019 29.131 30.130 1.00 0.00 O ATOM 248 CB ILE A 17 42.840 29.951 30.966 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.808 29.235 31.853 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.687 29.556 29.486 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.366 29.355 31.361 1.00 0.00 C ATOM 0 H ILE A 17 43.463 31.020 32.900 1.00 0.00 H new ATOM 0 HA ILE A 17 44.332 28.640 31.731 1.00 0.00 H new ATOM 0 HB ILE A 17 42.670 31.028 30.972 1.00 0.00 H new ATOM 0 HG12 ILE A 17 42.071 28.179 31.917 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.870 29.641 32.863 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.670 29.767 29.156 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.391 30.129 28.882 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.892 28.492 29.370 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.703 28.822 32.043 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.080 30.406 31.324 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.285 28.922 30.364 1.00 0.00 H new ATOM 263 N LYS A 18 45.543 31.308 30.264 1.00 0.00 N ATOM 264 CA LYS A 18 46.542 31.760 29.346 1.00 0.00 C ATOM 265 C LYS A 18 47.928 31.400 29.757 1.00 0.00 C ATOM 266 O LYS A 18 48.757 31.038 28.923 1.00 0.00 O ATOM 267 CB LYS A 18 46.378 33.248 28.989 1.00 0.00 C ATOM 268 CG LYS A 18 47.205 34.317 29.706 1.00 0.00 C ATOM 269 CD LYS A 18 48.508 34.768 29.042 1.00 0.00 C ATOM 270 CE LYS A 18 48.344 35.283 27.611 1.00 0.00 C ATOM 271 NZ LYS A 18 49.394 36.265 27.255 1.00 0.00 N ATOM 0 H LYS A 18 45.003 32.074 30.666 1.00 0.00 H new ATOM 0 HA LYS A 18 46.373 31.208 28.421 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.581 33.347 27.923 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.328 33.500 29.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.574 35.196 29.840 1.00 0.00 H new ATOM 0 HG3 LYS A 18 47.447 33.944 30.701 1.00 0.00 H new ATOM 0 HD2 LYS A 18 48.957 35.554 29.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 49.207 33.931 29.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 48.381 34.444 26.916 1.00 0.00 H new ATOM 0 HE3 LYS A 18 47.363 35.745 27.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 49.248 36.590 26.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 49.343 37.078 27.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 50.329 35.817 27.335 1.00 0.00 H new ATOM 285 N THR A 19 48.206 31.453 31.071 1.00 0.00 N ATOM 286 CA THR A 19 49.455 31.109 31.679 1.00 0.00 C ATOM 287 C THR A 19 49.728 29.644 31.704 1.00 0.00 C ATOM 288 O THR A 19 50.865 29.224 31.493 1.00 0.00 O ATOM 289 CB THR A 19 49.499 31.607 33.093 1.00 0.00 C ATOM 290 OG1 THR A 19 49.314 33.013 33.167 1.00 0.00 O ATOM 291 CG2 THR A 19 50.861 31.329 33.752 1.00 0.00 C ATOM 0 H THR A 19 47.512 31.756 31.754 1.00 0.00 H new ATOM 0 HA THR A 19 50.218 31.583 31.061 1.00 0.00 H new ATOM 0 HB THR A 19 48.695 31.078 33.605 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.362 33.223 33.071 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.853 31.704 34.775 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.049 30.255 33.761 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.647 31.830 33.188 1.00 0.00 H new ATOM 299 N ARG A 20 48.755 28.759 31.986 1.00 0.00 N ATOM 300 CA ARG A 20 49.064 27.366 32.078 1.00 0.00 C ATOM 301 C ARG A 20 48.952 26.656 30.772 1.00 0.00 C ATOM 302 O ARG A 20 49.695 25.705 30.534 1.00 0.00 O ATOM 303 CB ARG A 20 48.231 26.792 33.236 1.00 0.00 C ATOM 304 CG ARG A 20 48.339 25.272 33.375 1.00 0.00 C ATOM 305 CD ARG A 20 47.665 24.719 34.633 1.00 0.00 C ATOM 306 NE ARG A 20 48.525 25.042 35.806 1.00 0.00 N ATOM 307 CZ ARG A 20 48.168 24.701 37.079 1.00 0.00 C ATOM 308 NH1 ARG A 20 46.899 24.295 37.377 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.058 24.811 38.108 1.00 0.00 N ATOM 0 H ARG A 20 47.777 28.999 32.147 1.00 0.00 H new ATOM 0 HA ARG A 20 50.116 27.209 32.315 1.00 0.00 H new ATOM 0 HB2 ARG A 20 48.551 27.257 34.168 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.185 27.061 33.088 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.892 24.803 32.498 1.00 0.00 H new ATOM 0 HG3 ARG A 20 49.392 24.991 33.385 1.00 0.00 H new ATOM 0 HD2 ARG A 20 46.674 25.157 34.757 1.00 0.00 H new ATOM 0 HD3 ARG A 20 47.529 23.641 34.548 1.00 0.00 H new ATOM 0 HE ARG A 20 49.406 25.532 35.654 1.00 0.00 H new ATOM 0 HH11 ARG A 20 46.195 24.241 36.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 46.655 24.045 38.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.003 25.151 37.931 1.00 0.00 H new ATOM 0 HH22 ARG A 20 48.778 24.553 39.054 1.00 0.00 H new ATOM 323 N PHE A 21 48.108 27.116 29.832 1.00 0.00 N ATOM 324 CA PHE A 21 48.104 26.640 28.483 1.00 0.00 C ATOM 325 C PHE A 21 49.073 27.339 27.592 1.00 0.00 C ATOM 326 O PHE A 21 48.742 27.745 26.479 1.00 0.00 O ATOM 327 CB PHE A 21 46.716 26.764 27.833 1.00 0.00 C ATOM 328 CG PHE A 21 45.690 25.878 28.452 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.892 24.526 28.606 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.469 26.411 28.790 1.00 0.00 C ATOM 331 CE1 PHE A 21 44.898 23.724 29.112 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.475 25.624 29.323 1.00 0.00 C ATOM 333 CZ PHE A 21 43.697 24.277 29.489 1.00 0.00 C ATOM 0 H PHE A 21 47.410 27.837 30.014 1.00 0.00 H new ATOM 0 HA PHE A 21 48.400 25.595 28.575 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.381 27.799 27.903 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.797 26.527 26.772 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.840 24.091 28.327 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.287 27.464 28.635 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.060 22.661 29.213 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.529 26.060 29.609 1.00 0.00 H new ATOM 0 HZ PHE A 21 42.926 23.652 29.916 1.00 0.00 H new ATOM 343 N LEU A 22 50.353 27.466 27.983 1.00 0.00 N ATOM 344 CA LEU A 22 51.386 27.945 27.118 1.00 0.00 C ATOM 345 C LEU A 22 51.940 26.868 26.250 1.00 0.00 C ATOM 346 O LEU A 22 52.268 27.074 25.083 1.00 0.00 O ATOM 347 CB LEU A 22 52.529 28.636 27.882 1.00 0.00 C ATOM 348 CG LEU A 22 52.043 29.910 28.595 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.170 30.394 29.522 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.592 31.036 27.650 1.00 0.00 C ATOM 0 H LEU A 22 50.678 27.231 28.921 1.00 0.00 H new ATOM 0 HA LEU A 22 50.906 28.690 26.483 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.948 27.946 28.614 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.330 28.890 27.188 1.00 0.00 H new ATOM 0 HG LEU A 22 51.147 29.650 29.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.851 31.298 30.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.399 29.618 30.252 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.060 30.610 28.931 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.266 31.895 28.237 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.424 31.329 27.010 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.766 30.684 27.032 1.00 0.00 H new ATOM 362 N ASP A 23 52.009 25.633 26.779 1.00 0.00 N ATOM 363 CA ASP A 23 52.372 24.474 26.025 1.00 0.00 C ATOM 364 C ASP A 23 51.286 24.019 25.113 1.00 0.00 C ATOM 365 O ASP A 23 51.497 23.233 24.190 1.00 0.00 O ATOM 366 CB ASP A 23 52.847 23.337 26.946 1.00 0.00 C ATOM 367 CG ASP A 23 51.908 23.012 28.099 1.00 0.00 C ATOM 368 OD1 ASP A 23 51.590 23.932 28.899 1.00 0.00 O ATOM 369 OD2 ASP A 23 51.498 21.830 28.244 1.00 0.00 O ATOM 0 H ASP A 23 51.806 25.435 27.759 1.00 0.00 H new ATOM 0 HA ASP A 23 53.208 24.764 25.388 1.00 0.00 H new ATOM 0 HB2 ASP A 23 52.987 22.438 26.346 1.00 0.00 H new ATOM 0 HB3 ASP A 23 53.822 23.603 27.354 1.00 0.00 H new ATOM 374 N HIS A 24 50.063 24.535 25.329 1.00 0.00 N ATOM 375 CA HIS A 24 48.915 24.261 24.520 1.00 0.00 C ATOM 376 C HIS A 24 48.235 25.501 24.049 1.00 0.00 C ATOM 377 O HIS A 24 47.115 25.759 24.487 1.00 0.00 O ATOM 378 CB HIS A 24 47.949 23.353 25.298 1.00 0.00 C ATOM 379 CG HIS A 24 48.552 21.997 25.517 1.00 0.00 C ATOM 380 ND1 HIS A 24 48.792 21.165 24.455 1.00 0.00 N ATOM 381 CD2 HIS A 24 49.113 21.414 26.610 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.465 20.112 24.880 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.667 20.238 26.177 1.00 0.00 N ATOM 0 H HIS A 24 49.865 25.171 26.101 1.00 0.00 H new ATOM 0 HA HIS A 24 49.251 23.746 23.620 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.709 23.809 26.259 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.013 23.255 24.749 1.00 0.00 H new ATOM 0 HD2 HIS A 24 49.120 21.801 27.618 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.795 19.286 24.268 1.00 0.00 H new ATOM 0 HE2 HIS A 24 50.159 19.565 26.766 1.00 0.00 H new ATOM 392 N PRO A 25 48.759 26.293 23.162 1.00 0.00 N ATOM 393 CA PRO A 25 48.174 27.554 22.811 1.00 0.00 C ATOM 394 C PRO A 25 46.971 27.428 21.940 1.00 0.00 C ATOM 395 O PRO A 25 46.311 28.434 21.687 1.00 0.00 O ATOM 396 CB PRO A 25 49.297 28.284 22.078 1.00 0.00 C ATOM 397 CG PRO A 25 50.086 27.154 21.397 1.00 0.00 C ATOM 398 CD PRO A 25 50.010 26.048 22.462 1.00 0.00 C ATOM 0 HA PRO A 25 47.811 28.078 23.695 1.00 0.00 H new ATOM 0 HB2 PRO A 25 48.904 28.993 21.349 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.923 28.850 22.768 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.634 26.848 20.454 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.114 27.444 21.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.021 25.058 22.006 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.860 26.095 23.143 1.00 0.00 H new ATOM 406 N GLU A 26 46.604 26.219 21.478 1.00 0.00 N ATOM 407 CA GLU A 26 45.441 26.002 20.676 1.00 0.00 C ATOM 408 C GLU A 26 44.193 26.141 21.479 1.00 0.00 C ATOM 409 O GLU A 26 43.151 26.529 20.952 1.00 0.00 O ATOM 410 CB GLU A 26 45.472 24.667 19.911 1.00 0.00 C ATOM 411 CG GLU A 26 45.442 23.398 20.765 1.00 0.00 C ATOM 412 CD GLU A 26 45.374 22.117 19.947 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.137 21.964 18.957 1.00 0.00 O ATOM 414 OE2 GLU A 26 44.555 21.224 20.294 1.00 0.00 O ATOM 0 H GLU A 26 47.132 25.368 21.668 1.00 0.00 H new ATOM 0 HA GLU A 26 45.445 26.785 19.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 44.621 24.642 19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.372 24.645 19.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.332 23.371 21.393 1.00 0.00 H new ATOM 0 HG3 GLU A 26 44.582 23.439 21.433 1.00 0.00 H new ATOM 421 N ILE A 27 44.277 25.902 22.799 1.00 0.00 N ATOM 422 CA ILE A 27 43.191 25.986 23.724 1.00 0.00 C ATOM 423 C ILE A 27 42.704 27.389 23.842 1.00 0.00 C ATOM 424 O ILE A 27 41.502 27.641 23.911 1.00 0.00 O ATOM 425 CB ILE A 27 43.486 25.521 25.120 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.368 24.279 25.335 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.125 25.212 25.765 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.387 23.231 24.224 1.00 0.00 C ATOM 0 H ILE A 27 45.154 25.635 23.246 1.00 0.00 H new ATOM 0 HA ILE A 27 42.449 25.311 23.297 1.00 0.00 H new ATOM 0 HB ILE A 27 44.075 26.331 25.550 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.392 24.617 25.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.044 23.790 26.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.277 24.867 26.788 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.513 26.114 25.773 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.619 24.435 25.192 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.048 22.412 24.508 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.379 22.847 24.069 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.748 23.685 23.301 1.00 0.00 H new ATOM 440 N TYR A 28 43.631 28.365 23.837 1.00 0.00 N ATOM 441 CA TYR A 28 43.356 29.758 24.003 1.00 0.00 C ATOM 442 C TYR A 28 42.342 30.267 23.039 1.00 0.00 C ATOM 443 O TYR A 28 41.481 31.064 23.408 1.00 0.00 O ATOM 444 CB TYR A 28 44.644 30.599 23.956 1.00 0.00 C ATOM 445 CG TYR A 28 44.399 31.963 24.503 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.372 32.151 25.865 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.089 33.015 23.674 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.992 33.364 26.391 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.712 34.230 24.195 1.00 0.00 C ATOM 450 CZ TYR A 28 43.658 34.405 25.557 1.00 0.00 C ATOM 451 OH TYR A 28 43.243 35.629 26.122 1.00 0.00 O ATOM 0 H TYR A 28 44.624 28.171 23.710 1.00 0.00 H new ATOM 0 HA TYR A 28 42.920 29.866 24.996 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.428 30.106 24.531 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.000 30.672 22.928 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.650 31.343 26.525 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.142 32.886 22.603 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.956 33.499 27.462 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.459 35.046 23.535 1.00 0.00 H new ATOM 0 HH TYR A 28 42.846 36.193 25.426 1.00 0.00 H new ATOM 461 N ARG A 29 42.389 29.776 21.788 1.00 0.00 N ATOM 462 CA ARG A 29 41.410 30.011 20.772 1.00 0.00 C ATOM 463 C ARG A 29 40.199 29.158 20.931 1.00 0.00 C ATOM 464 O ARG A 29 39.089 29.687 20.978 1.00 0.00 O ATOM 465 CB ARG A 29 42.103 29.757 19.423 1.00 0.00 C ATOM 466 CG ARG A 29 41.206 29.790 18.183 1.00 0.00 C ATOM 467 CD ARG A 29 40.548 31.133 17.860 1.00 0.00 C ATOM 468 NE ARG A 29 41.617 32.079 17.432 1.00 0.00 N ATOM 469 CZ ARG A 29 42.046 32.227 16.145 1.00 0.00 C ATOM 470 NH1 ARG A 29 41.483 31.556 15.098 1.00 0.00 N ATOM 471 NH2 ARG A 29 43.086 33.060 15.849 1.00 0.00 N ATOM 0 H ARG A 29 43.153 29.181 21.468 1.00 0.00 H new ATOM 0 HA ARG A 29 41.044 31.035 20.840 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.889 30.502 19.297 1.00 0.00 H new ATOM 0 HB3 ARG A 29 42.591 28.783 19.467 1.00 0.00 H new ATOM 0 HG2 ARG A 29 41.800 29.484 17.322 1.00 0.00 H new ATOM 0 HG3 ARG A 29 40.420 29.045 18.309 1.00 0.00 H new ATOM 0 HD2 ARG A 29 39.806 31.014 17.070 1.00 0.00 H new ATOM 0 HD3 ARG A 29 40.024 31.520 18.734 1.00 0.00 H new ATOM 0 HE ARG A 29 42.058 32.655 18.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 40.709 30.913 15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 29 41.837 31.698 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 29 43.551 33.580 16.593 1.00 0.00 H new ATOM 0 HH22 ARG A 29 43.398 33.163 14.883 1.00 0.00 H new ATOM 485 N SER A 30 40.304 27.819 21.000 1.00 0.00 N ATOM 486 CA SER A 30 39.176 26.955 20.841 1.00 0.00 C ATOM 487 C SER A 30 38.233 26.951 21.994 1.00 0.00 C ATOM 488 O SER A 30 37.042 26.698 21.820 1.00 0.00 O ATOM 489 CB SER A 30 39.532 25.515 20.437 1.00 0.00 C ATOM 490 OG SER A 30 40.507 24.934 21.290 1.00 0.00 O ATOM 0 H SER A 30 41.183 27.330 21.168 1.00 0.00 H new ATOM 0 HA SER A 30 38.652 27.408 19.999 1.00 0.00 H new ATOM 0 HB2 SER A 30 38.630 24.903 20.453 1.00 0.00 H new ATOM 0 HB3 SER A 30 39.902 25.510 19.412 1.00 0.00 H new ATOM 0 HG SER A 30 41.376 25.358 21.130 1.00 0.00 H new ATOM 496 N PHE A 31 38.704 27.334 23.195 1.00 0.00 N ATOM 497 CA PHE A 31 37.900 27.699 24.320 1.00 0.00 C ATOM 498 C PHE A 31 36.877 28.733 23.997 1.00 0.00 C ATOM 499 O PHE A 31 35.685 28.560 24.245 1.00 0.00 O ATOM 500 CB PHE A 31 38.869 28.183 25.412 1.00 0.00 C ATOM 501 CG PHE A 31 38.304 28.675 26.700 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.133 28.212 27.252 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.037 29.609 27.393 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.690 28.682 28.466 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.602 30.092 28.605 1.00 0.00 C ATOM 506 CZ PHE A 31 37.430 29.619 29.149 1.00 0.00 C ATOM 0 H PHE A 31 39.703 27.392 23.391 1.00 0.00 H new ATOM 0 HA PHE A 31 37.322 26.838 24.655 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.547 27.361 25.641 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.472 28.985 24.987 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.553 27.469 26.725 1.00 0.00 H new ATOM 0 HD2 PHE A 31 39.968 29.969 26.980 1.00 0.00 H new ATOM 0 HE1 PHE A 31 35.763 28.316 28.882 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.179 30.840 29.128 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.092 29.982 30.109 1.00 0.00 H new ATOM 516 N LEU A 32 37.296 29.850 23.375 1.00 0.00 N ATOM 517 CA LEU A 32 36.452 30.951 23.034 1.00 0.00 C ATOM 518 C LEU A 32 35.520 30.628 21.916 1.00 0.00 C ATOM 519 O LEU A 32 34.381 31.089 21.883 1.00 0.00 O ATOM 520 CB LEU A 32 37.222 32.178 22.520 1.00 0.00 C ATOM 521 CG LEU A 32 38.633 32.385 23.099 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.432 33.257 22.117 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.601 32.970 24.522 1.00 0.00 C ATOM 0 H LEU A 32 38.267 29.991 23.098 1.00 0.00 H new ATOM 0 HA LEU A 32 35.935 31.160 23.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.304 32.102 21.436 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.630 33.068 22.733 1.00 0.00 H new ATOM 0 HG LEU A 32 39.129 31.420 23.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.437 33.417 22.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.493 32.755 21.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.933 34.218 21.995 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.620 33.097 24.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.098 33.937 24.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.062 32.291 25.183 1.00 0.00 H new ATOM 535 N GLU A 33 36.003 29.863 20.920 1.00 0.00 N ATOM 536 CA GLU A 33 35.239 29.342 19.830 1.00 0.00 C ATOM 537 C GLU A 33 34.037 28.564 20.244 1.00 0.00 C ATOM 538 O GLU A 33 32.971 28.689 19.642 1.00 0.00 O ATOM 539 CB GLU A 33 36.106 28.507 18.872 1.00 0.00 C ATOM 540 CG GLU A 33 37.305 29.265 18.298 1.00 0.00 C ATOM 541 CD GLU A 33 37.011 30.187 17.122 1.00 0.00 C ATOM 542 OE1 GLU A 33 36.323 31.230 17.276 1.00 0.00 O ATOM 543 OE2 GLU A 33 37.581 29.899 16.035 1.00 0.00 O ATOM 0 H GLU A 33 36.986 29.593 20.874 1.00 0.00 H new ATOM 0 HA GLU A 33 34.872 30.224 19.304 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.466 27.624 19.400 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.484 28.154 18.049 1.00 0.00 H new ATOM 0 HG2 GLU A 33 37.751 29.858 19.096 1.00 0.00 H new ATOM 0 HG3 GLU A 33 38.054 28.537 17.985 1.00 0.00 H new ATOM 550 N ILE A 34 34.113 27.789 21.340 1.00 0.00 N ATOM 551 CA ILE A 34 32.981 27.149 21.935 1.00 0.00 C ATOM 552 C ILE A 34 32.053 28.144 22.544 1.00 0.00 C ATOM 553 O ILE A 34 30.840 28.056 22.363 1.00 0.00 O ATOM 554 CB ILE A 34 33.430 26.074 22.878 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.220 24.986 22.130 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.222 25.449 23.596 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.072 24.136 23.071 1.00 0.00 C ATOM 0 H ILE A 34 34.989 27.602 21.828 1.00 0.00 H new ATOM 0 HA ILE A 34 32.397 26.653 21.160 1.00 0.00 H new ATOM 0 HB ILE A 34 34.085 26.528 23.621 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.525 24.342 21.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.863 25.455 21.385 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.566 24.670 24.277 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.696 26.219 24.161 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.546 25.014 22.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.610 23.383 22.495 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.787 24.774 23.591 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.428 23.644 23.800 1.00 0.00 H new ATOM 569 N LEU A 35 32.519 29.187 23.254 1.00 0.00 N ATOM 570 CA LEU A 35 31.641 30.204 23.743 1.00 0.00 C ATOM 571 C LEU A 35 31.073 31.091 22.688 1.00 0.00 C ATOM 572 O LEU A 35 30.050 31.746 22.882 1.00 0.00 O ATOM 573 CB LEU A 35 32.334 31.098 24.784 1.00 0.00 C ATOM 574 CG LEU A 35 33.294 30.431 25.783 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.309 31.265 27.074 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.001 29.018 26.316 1.00 0.00 C ATOM 0 H LEU A 35 33.502 29.326 23.489 1.00 0.00 H new ATOM 0 HA LEU A 35 30.819 29.645 24.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.891 31.866 24.247 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.559 31.608 25.356 1.00 0.00 H new ATOM 0 HG LEU A 35 34.199 30.366 25.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 33.985 30.807 27.795 1.00 0.00 H new ATOM 0 HD12 LEU A 35 33.648 32.276 26.850 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.304 31.304 27.493 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.789 28.719 27.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.043 29.017 26.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.963 28.316 25.483 1.00 0.00 H new ATOM 588 N HIS A 36 31.681 31.169 21.491 1.00 0.00 N ATOM 589 CA HIS A 36 31.135 31.809 20.335 1.00 0.00 C ATOM 590 C HIS A 36 29.853 31.185 19.900 1.00 0.00 C ATOM 591 O HIS A 36 28.923 31.902 19.534 1.00 0.00 O ATOM 592 CB HIS A 36 32.052 31.864 19.102 1.00 0.00 C ATOM 593 CG HIS A 36 33.149 32.887 19.125 1.00 0.00 C ATOM 594 ND1 HIS A 36 34.500 32.760 19.048 1.00 0.00 N flip ATOM 595 CD2 HIS A 36 32.883 34.230 19.068 1.00 0.00 C flip ATOM 596 CE1 HIS A 36 35.014 34.027 18.962 1.00 0.00 C flip ATOM 597 NE2 HIS A 36 34.020 34.895 18.980 1.00 0.00 N flip ATOM 0 H HIS A 36 32.602 30.764 21.321 1.00 0.00 H new ATOM 0 HA HIS A 36 30.989 32.831 20.686 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.505 30.881 18.971 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.432 32.049 18.225 1.00 0.00 H new ATOM 0 HD2 HIS A 36 31.899 34.674 19.091 1.00 0.00 H new ATOM 0 HE1 HIS A 36 36.063 34.275 18.891 1.00 0.00 H new ATOM 0 HE2 HIS A 36 34.114 35.910 18.934 1.00 0.00 H new ATOM 606 N THR A 37 29.707 29.850 19.967 1.00 0.00 N ATOM 607 CA THR A 37 28.493 29.117 19.779 1.00 0.00 C ATOM 608 C THR A 37 27.375 29.621 20.625 1.00 0.00 C ATOM 609 O THR A 37 26.235 29.769 20.190 1.00 0.00 O ATOM 610 CB THR A 37 28.691 27.670 20.117 1.00 0.00 C ATOM 611 OG1 THR A 37 29.787 27.139 19.387 1.00 0.00 O ATOM 612 CG2 THR A 37 27.475 26.793 19.776 1.00 0.00 C ATOM 0 H THR A 37 30.498 29.238 20.168 1.00 0.00 H new ATOM 0 HA THR A 37 28.231 29.247 18.729 1.00 0.00 H new ATOM 0 HB THR A 37 28.860 27.647 21.194 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.907 26.194 19.618 1.00 0.00 H new ATOM 0 HG21 THR A 37 27.686 25.758 20.046 1.00 0.00 H new ATOM 0 HG22 THR A 37 26.606 27.144 20.333 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.270 26.855 18.707 1.00 0.00 H new ATOM 620 N TYR A 38 27.688 29.930 21.897 1.00 0.00 N ATOM 621 CA TYR A 38 26.813 30.488 22.879 1.00 0.00 C ATOM 622 C TYR A 38 26.425 31.889 22.546 1.00 0.00 C ATOM 623 O TYR A 38 25.248 32.222 22.426 1.00 0.00 O ATOM 624 CB TYR A 38 27.538 30.414 24.234 1.00 0.00 C ATOM 625 CG TYR A 38 26.718 30.745 25.433 1.00 0.00 C ATOM 626 CD1 TYR A 38 26.668 32.047 25.874 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.079 29.758 26.144 1.00 0.00 C ATOM 628 CE1 TYR A 38 25.965 32.365 27.012 1.00 0.00 C ATOM 629 CE2 TYR A 38 25.340 30.082 27.257 1.00 0.00 C ATOM 630 CZ TYR A 38 25.273 31.387 27.687 1.00 0.00 C ATOM 631 OH TYR A 38 24.472 31.744 28.792 1.00 0.00 O ATOM 0 H TYR A 38 28.627 29.777 22.265 1.00 0.00 H new ATOM 0 HA TYR A 38 25.882 29.922 22.913 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.935 29.406 24.357 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.392 31.091 24.204 1.00 0.00 H new ATOM 0 HD1 TYR A 38 27.182 32.822 25.325 1.00 0.00 H new ATOM 0 HD2 TYR A 38 26.157 28.728 25.829 1.00 0.00 H new ATOM 0 HE1 TYR A 38 25.956 33.382 27.375 1.00 0.00 H new ATOM 0 HE2 TYR A 38 24.811 29.310 27.795 1.00 0.00 H new ATOM 0 HH TYR A 38 24.047 30.942 29.161 1.00 0.00 H new ATOM 641 N GLN A 39 27.428 32.775 22.419 1.00 0.00 N ATOM 642 CA GLN A 39 27.285 34.196 22.349 1.00 0.00 C ATOM 643 C GLN A 39 26.850 34.756 21.038 1.00 0.00 C ATOM 644 O GLN A 39 26.421 35.907 20.989 1.00 0.00 O ATOM 645 CB GLN A 39 28.507 34.904 22.958 1.00 0.00 C ATOM 646 CG GLN A 39 28.148 35.807 24.140 1.00 0.00 C ATOM 647 CD GLN A 39 27.356 37.051 23.759 1.00 0.00 C ATOM 648 OE1 GLN A 39 27.904 38.028 23.250 1.00 0.00 O ATOM 649 NE2 GLN A 39 26.032 37.060 24.067 1.00 0.00 N ATOM 0 H GLN A 39 28.402 32.479 22.361 1.00 0.00 H new ATOM 0 HA GLN A 39 26.420 34.422 22.973 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.228 34.155 23.286 1.00 0.00 H new ATOM 0 HB3 GLN A 39 28.996 35.501 22.188 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.570 35.229 24.861 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.067 36.114 24.640 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.601 36.237 24.488 1.00 0.00 H new ATOM 0 HE22 GLN A 39 25.470 37.889 23.877 1.00 0.00 H new ATOM 898 N SER A 54 22.262 25.914 25.561 1.00 0.00 N ATOM 899 CA SER A 54 22.254 25.718 26.978 1.00 0.00 C ATOM 900 C SER A 54 23.642 25.671 27.518 1.00 0.00 C ATOM 901 O SER A 54 24.582 25.178 26.895 1.00 0.00 O ATOM 902 CB SER A 54 21.506 24.418 27.318 1.00 0.00 C ATOM 903 OG SER A 54 21.983 23.322 26.552 1.00 0.00 O ATOM 0 HA SER A 54 21.741 26.560 27.442 1.00 0.00 H new ATOM 0 HB2 SER A 54 21.622 24.198 28.379 1.00 0.00 H new ATOM 0 HB3 SER A 54 20.440 24.553 27.135 1.00 0.00 H new ATOM 0 HG SER A 54 21.594 22.490 26.894 1.00 0.00 H new ATOM 909 N GLU A 55 23.832 26.183 28.748 1.00 0.00 N ATOM 910 CA GLU A 55 25.089 26.314 29.417 1.00 0.00 C ATOM 911 C GLU A 55 25.839 25.041 29.615 1.00 0.00 C ATOM 912 O GLU A 55 27.064 25.033 29.712 1.00 0.00 O ATOM 913 CB GLU A 55 24.889 27.051 30.752 1.00 0.00 C ATOM 914 CG GLU A 55 23.804 26.491 31.674 1.00 0.00 C ATOM 915 CD GLU A 55 22.462 27.199 31.555 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.966 27.379 30.411 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.895 27.600 32.607 1.00 0.00 O ATOM 0 H GLU A 55 23.055 26.528 29.311 1.00 0.00 H new ATOM 0 HA GLU A 55 25.723 26.898 28.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.835 27.045 31.293 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.652 28.093 30.537 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.665 25.433 31.453 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.148 26.559 32.706 1.00 0.00 H new ATOM 924 N GLU A 56 25.138 23.893 29.596 1.00 0.00 N ATOM 925 CA GLU A 56 25.709 22.582 29.634 1.00 0.00 C ATOM 926 C GLU A 56 26.636 22.255 28.514 1.00 0.00 C ATOM 927 O GLU A 56 27.628 21.564 28.738 1.00 0.00 O ATOM 928 CB GLU A 56 24.592 21.528 29.718 1.00 0.00 C ATOM 929 CG GLU A 56 23.859 21.274 28.399 1.00 0.00 C ATOM 930 CD GLU A 56 22.481 20.648 28.556 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.360 19.542 29.148 1.00 0.00 O ATOM 932 OE2 GLU A 56 21.490 21.246 28.059 1.00 0.00 O ATOM 0 H GLU A 56 24.119 23.879 29.552 1.00 0.00 H new ATOM 0 HA GLU A 56 26.331 22.567 30.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 25.021 20.589 30.067 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.866 21.845 30.467 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.757 22.220 27.866 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.472 20.622 27.776 1.00 0.00 H new ATOM 939 N GLU A 57 26.392 22.690 27.265 1.00 0.00 N ATOM 940 CA GLU A 57 27.121 22.181 26.145 1.00 0.00 C ATOM 941 C GLU A 57 28.403 22.923 25.978 1.00 0.00 C ATOM 942 O GLU A 57 29.441 22.413 25.562 1.00 0.00 O ATOM 943 CB GLU A 57 26.348 22.089 24.818 1.00 0.00 C ATOM 944 CG GLU A 57 26.537 23.226 23.812 1.00 0.00 C ATOM 945 CD GLU A 57 25.850 22.926 22.488 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.939 22.057 22.454 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.203 23.558 21.456 1.00 0.00 O ATOM 0 H GLU A 57 25.691 23.393 27.031 1.00 0.00 H new ATOM 0 HA GLU A 57 27.321 21.139 26.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.629 21.156 24.329 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.286 22.019 25.051 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.137 24.150 24.228 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.601 23.388 23.641 1.00 0.00 H new ATOM 954 N VAL A 58 28.343 24.219 26.332 1.00 0.00 N ATOM 955 CA VAL A 58 29.451 25.113 26.206 1.00 0.00 C ATOM 956 C VAL A 58 30.512 24.764 27.193 1.00 0.00 C ATOM 957 O VAL A 58 31.710 24.772 26.915 1.00 0.00 O ATOM 958 CB VAL A 58 28.894 26.505 26.232 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.896 27.174 27.617 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.754 27.389 25.313 1.00 0.00 C ATOM 0 H VAL A 58 27.504 24.656 26.715 1.00 0.00 H new ATOM 0 HA VAL A 58 29.987 25.028 25.260 1.00 0.00 H new ATOM 0 HB VAL A 58 27.855 26.414 25.914 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.476 28.177 27.537 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.295 26.582 28.308 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.919 27.238 27.989 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.364 28.407 25.318 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.784 27.393 25.671 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.725 26.995 24.297 1.00 0.00 H new ATOM 970 N PHE A 59 30.043 24.311 28.368 1.00 0.00 N ATOM 971 CA PHE A 59 30.779 23.565 29.343 1.00 0.00 C ATOM 972 C PHE A 59 31.304 22.270 28.827 1.00 0.00 C ATOM 973 O PHE A 59 32.510 22.030 28.868 1.00 0.00 O ATOM 974 CB PHE A 59 29.877 23.380 30.576 1.00 0.00 C ATOM 975 CG PHE A 59 30.466 22.616 31.711 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.215 23.247 32.676 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.211 21.270 31.838 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.690 22.550 33.762 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.699 20.561 32.911 1.00 0.00 C ATOM 980 CZ PHE A 59 31.440 21.203 33.874 1.00 0.00 C ATOM 0 H PHE A 59 29.079 24.478 28.658 1.00 0.00 H new ATOM 0 HA PHE A 59 31.674 24.125 29.614 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.587 24.366 30.940 1.00 0.00 H new ATOM 0 HB3 PHE A 59 28.964 22.876 30.260 1.00 0.00 H new ATOM 0 HD1 PHE A 59 31.432 24.301 32.580 1.00 0.00 H new ATOM 0 HD2 PHE A 59 29.621 20.765 31.087 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.258 23.060 34.526 1.00 0.00 H new ATOM 0 HE2 PHE A 59 30.500 19.503 32.996 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.825 20.650 34.718 1.00 0.00 H new ATOM 990 N THR A 60 30.444 21.379 28.302 1.00 0.00 N ATOM 991 CA THR A 60 30.760 20.081 27.790 1.00 0.00 C ATOM 992 C THR A 60 31.890 20.020 26.822 1.00 0.00 C ATOM 993 O THR A 60 32.738 19.132 26.899 1.00 0.00 O ATOM 994 CB THR A 60 29.572 19.321 27.281 1.00 0.00 C ATOM 995 OG1 THR A 60 29.477 18.025 27.853 1.00 0.00 O ATOM 996 CG2 THR A 60 29.473 19.145 25.756 1.00 0.00 C ATOM 0 H THR A 60 29.447 21.584 28.230 1.00 0.00 H new ATOM 0 HA THR A 60 31.120 19.572 28.684 1.00 0.00 H new ATOM 0 HB THR A 60 28.751 19.967 27.590 1.00 0.00 H new ATOM 0 HG1 THR A 60 28.688 17.566 27.495 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.573 18.580 25.513 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.427 20.124 25.279 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.349 18.606 25.394 1.00 0.00 H new ATOM 1004 N GLU A 61 31.967 20.967 25.870 1.00 0.00 N ATOM 1005 CA GLU A 61 33.038 20.988 24.924 1.00 0.00 C ATOM 1006 C GLU A 61 34.320 21.453 25.523 1.00 0.00 C ATOM 1007 O GLU A 61 35.314 20.735 25.417 1.00 0.00 O ATOM 1008 CB GLU A 61 32.649 21.572 23.555 1.00 0.00 C ATOM 1009 CG GLU A 61 31.487 20.791 22.938 1.00 0.00 C ATOM 1010 CD GLU A 61 31.428 20.750 21.418 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.260 21.370 20.704 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.553 19.994 20.918 1.00 0.00 O ATOM 0 H GLU A 61 31.287 21.718 25.756 1.00 0.00 H new ATOM 0 HA GLU A 61 33.254 19.953 24.658 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.369 22.619 23.668 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.508 21.543 22.885 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.532 19.766 23.306 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.555 21.221 23.304 1.00 0.00 H new ATOM 1019 N VAL A 62 34.359 22.574 26.265 1.00 0.00 N ATOM 1020 CA VAL A 62 35.483 23.112 26.967 1.00 0.00 C ATOM 1021 C VAL A 62 36.145 22.154 27.897 1.00 0.00 C ATOM 1022 O VAL A 62 37.355 22.152 28.117 1.00 0.00 O ATOM 1023 CB VAL A 62 35.032 24.319 27.735 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.120 24.889 28.661 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.633 25.407 26.724 1.00 0.00 C ATOM 0 H VAL A 62 33.529 23.154 26.383 1.00 0.00 H new ATOM 0 HA VAL A 62 36.232 23.362 26.215 1.00 0.00 H new ATOM 0 HB VAL A 62 34.198 24.014 28.367 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.730 25.760 29.187 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.416 24.130 29.385 1.00 0.00 H new ATOM 0 HG13 VAL A 62 36.986 25.181 28.068 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.301 26.297 27.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.492 25.658 26.101 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.823 25.039 26.094 1.00 0.00 H new ATOM 1035 N ALA A 63 35.349 21.216 28.442 1.00 0.00 N ATOM 1036 CA ALA A 63 35.766 20.199 29.357 1.00 0.00 C ATOM 1037 C ALA A 63 36.741 19.251 28.750 1.00 0.00 C ATOM 1038 O ALA A 63 37.637 18.746 29.425 1.00 0.00 O ATOM 1039 CB ALA A 63 34.561 19.365 29.823 1.00 0.00 C ATOM 0 H ALA A 63 34.353 21.166 28.230 1.00 0.00 H new ATOM 0 HA ALA A 63 36.236 20.722 30.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 34.898 18.596 30.519 1.00 0.00 H new ATOM 0 HB2 ALA A 63 33.840 20.014 30.320 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.090 18.893 28.961 1.00 0.00 H new ATOM 1045 N ASN A 64 36.624 19.001 27.434 1.00 0.00 N ATOM 1046 CA ASN A 64 37.536 18.132 26.757 1.00 0.00 C ATOM 1047 C ASN A 64 38.859 18.793 26.574 1.00 0.00 C ATOM 1048 O ASN A 64 39.922 18.178 26.644 1.00 0.00 O ATOM 1049 CB ASN A 64 37.118 17.700 25.341 1.00 0.00 C ATOM 1050 CG ASN A 64 35.644 17.328 25.266 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.123 16.460 25.964 1.00 0.00 O ATOM 1052 ND2 ASN A 64 34.941 18.031 24.339 1.00 0.00 N ATOM 0 H ASN A 64 35.898 19.400 26.839 1.00 0.00 H new ATOM 0 HA ASN A 64 37.561 17.256 27.405 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.323 18.510 24.640 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.722 16.848 25.029 1.00 0.00 H new ATOM 0 HD21 ASN A 64 33.947 17.846 24.204 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.407 18.744 23.778 1.00 0.00 H new ATOM 1059 N LEU A 65 38.839 20.113 26.316 1.00 0.00 N ATOM 1060 CA LEU A 65 39.980 20.928 26.035 1.00 0.00 C ATOM 1061 C LEU A 65 40.900 21.006 27.205 1.00 0.00 C ATOM 1062 O LEU A 65 42.123 21.024 27.077 1.00 0.00 O ATOM 1063 CB LEU A 65 39.592 22.375 25.685 1.00 0.00 C ATOM 1064 CG LEU A 65 39.031 22.565 24.266 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.673 21.859 24.105 1.00 0.00 C ATOM 1066 CD2 LEU A 65 38.869 24.063 23.953 1.00 0.00 C ATOM 0 H LEU A 65 37.969 20.645 26.303 1.00 0.00 H new ATOM 0 HA LEU A 65 40.468 20.451 25.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 38.850 22.722 26.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.470 23.010 25.802 1.00 0.00 H new ATOM 0 HG LEU A 65 39.739 22.120 23.567 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.302 22.011 23.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.793 20.792 24.291 1.00 0.00 H new ATOM 0 HD13 LEU A 65 36.961 22.273 24.818 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.471 24.183 22.945 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.182 24.512 24.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 39.839 24.556 24.021 1.00 0.00 H new ATOM 1078 N PHE A 66 40.292 21.076 28.402 1.00 0.00 N ATOM 1079 CA PHE A 66 40.932 21.420 29.634 1.00 0.00 C ATOM 1080 C PHE A 66 41.317 20.212 30.416 1.00 0.00 C ATOM 1081 O PHE A 66 41.897 20.314 31.496 1.00 0.00 O ATOM 1082 CB PHE A 66 40.004 22.266 30.521 1.00 0.00 C ATOM 1083 CG PHE A 66 39.781 23.675 30.089 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.240 24.224 28.915 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.066 24.475 30.950 1.00 0.00 C ATOM 1086 CE1 PHE A 66 39.993 25.540 28.605 1.00 0.00 C ATOM 1087 CE2 PHE A 66 38.827 25.799 30.665 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.297 26.332 29.488 1.00 0.00 C ATOM 0 H PHE A 66 39.297 20.881 28.516 1.00 0.00 H new ATOM 0 HA PHE A 66 41.824 21.984 29.363 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.036 21.768 30.576 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.414 22.279 31.531 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.803 23.612 28.226 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.684 24.055 31.869 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.345 25.951 27.670 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.275 26.415 31.360 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.120 27.372 29.257 1.00 0.00 H new ATOM 1098 N ARG A 67 40.995 19.015 29.892 1.00 0.00 N ATOM 1099 CA ARG A 67 40.934 17.791 30.628 1.00 0.00 C ATOM 1100 C ARG A 67 42.170 17.403 31.364 1.00 0.00 C ATOM 1101 O ARG A 67 43.292 17.496 30.869 1.00 0.00 O ATOM 1102 CB ARG A 67 40.330 16.697 29.731 1.00 0.00 C ATOM 1103 CG ARG A 67 41.256 16.021 28.718 1.00 0.00 C ATOM 1104 CD ARG A 67 42.018 14.807 29.253 1.00 0.00 C ATOM 1105 NE ARG A 67 42.757 14.222 28.099 1.00 0.00 N ATOM 1106 CZ ARG A 67 42.254 13.258 27.272 1.00 0.00 C ATOM 1107 NH1 ARG A 67 41.018 12.703 27.441 1.00 0.00 N ATOM 1108 NH2 ARG A 67 43.003 12.820 26.220 1.00 0.00 N ATOM 0 H ARG A 67 40.766 18.896 28.905 1.00 0.00 H new ATOM 0 HA ARG A 67 40.264 17.952 31.472 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.917 15.923 30.377 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.495 17.134 29.183 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.664 15.710 27.857 1.00 0.00 H new ATOM 0 HG3 ARG A 67 41.977 16.756 28.360 1.00 0.00 H new ATOM 0 HD2 ARG A 67 42.707 15.101 30.045 1.00 0.00 H new ATOM 0 HD3 ARG A 67 41.331 14.078 29.683 1.00 0.00 H new ATOM 0 HE ARG A 67 43.700 14.564 27.914 1.00 0.00 H new ATOM 0 HH11 ARG A 67 40.424 13.006 28.213 1.00 0.00 H new ATOM 0 HH12 ARG A 67 40.688 11.986 26.795 1.00 0.00 H new ATOM 0 HH21 ARG A 67 43.930 13.212 26.056 1.00 0.00 H new ATOM 0 HH22 ARG A 67 42.636 12.101 25.597 1.00 0.00 H new ATOM 1122 N GLY A 68 42.004 17.038 32.648 1.00 0.00 N ATOM 1123 CA GLY A 68 43.067 16.972 33.602 1.00 0.00 C ATOM 1124 C GLY A 68 42.882 18.041 34.623 1.00 0.00 C ATOM 1125 O GLY A 68 42.938 17.795 35.827 1.00 0.00 O ATOM 0 H GLY A 68 41.097 16.780 33.036 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.079 15.993 34.082 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.028 17.094 33.102 1.00 0.00 H new ATOM 1129 N GLN A 69 42.650 19.291 34.184 1.00 0.00 N ATOM 1130 CA GLN A 69 42.504 20.409 35.066 1.00 0.00 C ATOM 1131 C GLN A 69 41.070 20.636 35.400 1.00 0.00 C ATOM 1132 O GLN A 69 40.300 21.205 34.629 1.00 0.00 O ATOM 1133 CB GLN A 69 43.063 21.700 34.445 1.00 0.00 C ATOM 1134 CG GLN A 69 44.557 21.623 34.123 1.00 0.00 C ATOM 1135 CD GLN A 69 44.879 22.348 32.824 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.514 23.401 32.779 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.411 21.763 31.690 1.00 0.00 N ATOM 0 H GLN A 69 42.562 19.531 33.197 1.00 0.00 H new ATOM 0 HA GLN A 69 43.067 20.170 35.968 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.513 21.922 33.531 1.00 0.00 H new ATOM 0 HB3 GLN A 69 42.889 22.529 35.131 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.131 22.062 34.939 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.861 20.579 34.045 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.886 20.890 31.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.584 22.197 30.783 1.00 0.00 H new ATOM 1146 N GLU A 70 40.644 20.174 36.589 1.00 0.00 N ATOM 1147 CA GLU A 70 39.298 20.308 37.053 1.00 0.00 C ATOM 1148 C GLU A 70 39.013 21.661 37.608 1.00 0.00 C ATOM 1149 O GLU A 70 37.890 22.159 37.550 1.00 0.00 O ATOM 1150 CB GLU A 70 38.956 19.211 38.074 1.00 0.00 C ATOM 1151 CG GLU A 70 39.792 19.170 39.355 1.00 0.00 C ATOM 1152 CD GLU A 70 39.417 17.951 40.184 1.00 0.00 C ATOM 1153 OE1 GLU A 70 38.330 17.956 40.822 1.00 0.00 O ATOM 1154 OE2 GLU A 70 40.190 16.956 40.183 1.00 0.00 O ATOM 0 H GLU A 70 41.255 19.692 37.248 1.00 0.00 H new ATOM 0 HA GLU A 70 38.653 20.185 36.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.909 19.325 38.356 1.00 0.00 H new ATOM 0 HB3 GLU A 70 39.049 18.245 37.578 1.00 0.00 H new ATOM 0 HG2 GLU A 70 40.853 19.138 39.106 1.00 0.00 H new ATOM 0 HG3 GLU A 70 39.628 20.078 39.935 1.00 0.00 H new ATOM 1161 N ASP A 71 40.055 22.330 38.135 1.00 0.00 N ATOM 1162 CA ASP A 71 40.010 23.600 38.788 1.00 0.00 C ATOM 1163 C ASP A 71 39.624 24.730 37.897 1.00 0.00 C ATOM 1164 O ASP A 71 39.045 25.726 38.330 1.00 0.00 O ATOM 1165 CB ASP A 71 41.350 23.822 39.508 1.00 0.00 C ATOM 1166 CG ASP A 71 42.523 23.759 38.539 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.798 24.796 37.879 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.147 22.672 38.413 1.00 0.00 O ATOM 0 H ASP A 71 41.001 21.951 38.100 1.00 0.00 H new ATOM 0 HA ASP A 71 39.204 23.583 39.522 1.00 0.00 H new ATOM 0 HB2 ASP A 71 41.340 24.792 40.006 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.477 23.067 40.284 1.00 0.00 H new ATOM 1173 N LEU A 72 39.893 24.634 36.582 1.00 0.00 N ATOM 1174 CA LEU A 72 39.472 25.610 35.626 1.00 0.00 C ATOM 1175 C LEU A 72 38.000 25.582 35.389 1.00 0.00 C ATOM 1176 O LEU A 72 37.375 26.622 35.191 1.00 0.00 O ATOM 1177 CB LEU A 72 40.237 25.447 34.302 1.00 0.00 C ATOM 1178 CG LEU A 72 41.764 25.568 34.441 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.433 25.340 33.075 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.239 26.914 35.012 1.00 0.00 C ATOM 0 H LEU A 72 40.416 23.859 36.174 1.00 0.00 H new ATOM 0 HA LEU A 72 39.708 26.586 36.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.998 24.474 33.874 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.886 26.200 33.597 1.00 0.00 H new ATOM 0 HG LEU A 72 42.058 24.802 35.158 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.514 25.427 33.180 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.183 24.344 32.709 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.076 26.087 32.366 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.327 26.918 35.078 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.912 27.722 34.358 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.815 27.058 36.006 1.00 0.00 H new ATOM 1192 N LEU A 73 37.344 24.410 35.459 1.00 0.00 N ATOM 1193 CA LEU A 73 35.923 24.292 35.347 1.00 0.00 C ATOM 1194 C LEU A 73 35.246 24.752 36.593 1.00 0.00 C ATOM 1195 O LEU A 73 34.093 25.182 36.593 1.00 0.00 O ATOM 1196 CB LEU A 73 35.452 22.856 35.063 1.00 0.00 C ATOM 1197 CG LEU A 73 35.744 22.301 33.658 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.187 23.171 32.520 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.243 22.010 33.472 1.00 0.00 C ATOM 0 H LEU A 73 37.817 23.517 35.598 1.00 0.00 H new ATOM 0 HA LEU A 73 35.652 24.922 34.500 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.916 22.194 35.794 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.376 22.811 35.230 1.00 0.00 H new ATOM 0 HG LEU A 73 35.203 21.357 33.592 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.432 22.716 31.560 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.104 23.249 32.618 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.629 24.166 32.573 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.416 21.619 32.469 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.812 22.930 33.606 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.565 21.274 34.209 1.00 0.00 H new ATOM 1211 N SER A 74 35.978 24.735 37.722 1.00 0.00 N ATOM 1212 CA SER A 74 35.526 25.210 38.993 1.00 0.00 C ATOM 1213 C SER A 74 35.355 26.690 39.005 1.00 0.00 C ATOM 1214 O SER A 74 34.385 27.221 39.543 1.00 0.00 O ATOM 1215 CB SER A 74 36.424 24.849 40.188 1.00 0.00 C ATOM 1216 OG SER A 74 36.784 23.476 40.192 1.00 0.00 O ATOM 0 H SER A 74 36.931 24.372 37.749 1.00 0.00 H new ATOM 0 HA SER A 74 34.575 24.693 39.118 1.00 0.00 H new ATOM 0 HB2 SER A 74 37.327 25.460 40.160 1.00 0.00 H new ATOM 0 HB3 SER A 74 35.905 25.090 41.116 1.00 0.00 H new ATOM 0 HG SER A 74 37.105 23.219 39.302 1.00 0.00 H new ATOM 1222 N GLU A 75 36.277 27.431 38.364 1.00 0.00 N ATOM 1223 CA GLU A 75 36.184 28.845 38.171 1.00 0.00 C ATOM 1224 C GLU A 75 35.269 29.241 37.064 1.00 0.00 C ATOM 1225 O GLU A 75 34.774 30.366 37.032 1.00 0.00 O ATOM 1226 CB GLU A 75 37.566 29.505 38.038 1.00 0.00 C ATOM 1227 CG GLU A 75 38.396 29.325 39.310 1.00 0.00 C ATOM 1228 CD GLU A 75 39.420 30.431 39.524 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.021 31.625 39.572 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.621 30.132 39.761 1.00 0.00 O ATOM 0 H GLU A 75 37.123 27.027 37.963 1.00 0.00 H new ATOM 0 HA GLU A 75 35.725 29.230 39.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 38.098 29.072 37.191 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.445 30.568 37.828 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.727 29.288 40.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.912 28.366 39.266 1.00 0.00 H new ATOM 1237 N PHE A 76 34.944 28.311 36.148 1.00 0.00 N ATOM 1238 CA PHE A 76 33.883 28.438 35.196 1.00 0.00 C ATOM 1239 C PHE A 76 32.562 28.360 35.882 1.00 0.00 C ATOM 1240 O PHE A 76 31.564 28.984 35.528 1.00 0.00 O ATOM 1241 CB PHE A 76 34.034 27.287 34.187 1.00 0.00 C ATOM 1242 CG PHE A 76 33.687 27.504 32.754 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.543 28.728 32.146 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.564 26.373 31.982 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.288 28.811 30.797 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.292 26.440 30.636 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.159 27.671 30.038 1.00 0.00 C ATOM 0 H PHE A 76 35.446 27.427 36.067 1.00 0.00 H new ATOM 0 HA PHE A 76 33.934 29.401 34.688 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.073 26.958 34.223 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.424 26.458 34.547 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.631 29.631 32.732 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.684 25.405 32.446 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.188 29.779 30.330 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.184 25.536 30.055 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.955 27.742 28.980 1.00 0.00 H new ATOM 1257 N GLY A 77 32.546 27.606 36.995 1.00 0.00 N ATOM 1258 CA GLY A 77 31.475 27.255 37.875 1.00 0.00 C ATOM 1259 C GLY A 77 30.771 28.379 38.555 1.00 0.00 C ATOM 1260 O GLY A 77 29.709 28.213 39.153 1.00 0.00 O ATOM 0 H GLY A 77 33.416 27.183 37.320 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.739 26.687 37.306 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.869 26.587 38.641 1.00 0.00 H new ATOM 1264 N GLN A 78 31.367 29.585 38.556 1.00 0.00 N ATOM 1265 CA GLN A 78 30.756 30.787 39.033 1.00 0.00 C ATOM 1266 C GLN A 78 29.447 31.107 38.396 1.00 0.00 C ATOM 1267 O GLN A 78 28.494 31.523 39.054 1.00 0.00 O ATOM 1268 CB GLN A 78 31.700 31.982 38.820 1.00 0.00 C ATOM 1269 CG GLN A 78 33.047 31.796 39.523 1.00 0.00 C ATOM 1270 CD GLN A 78 32.950 31.953 41.033 1.00 0.00 C ATOM 1271 OE1 GLN A 78 31.895 32.180 41.627 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.121 31.855 41.717 1.00 0.00 N ATOM 0 H GLN A 78 32.316 29.728 38.209 1.00 0.00 H new ATOM 0 HA GLN A 78 30.564 30.609 40.091 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.867 32.123 37.752 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.222 32.889 39.190 1.00 0.00 H new ATOM 0 HG2 GLN A 78 33.440 30.806 39.290 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.759 32.522 39.132 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.990 31.667 41.217 1.00 0.00 H new ATOM 0 HE22 GLN A 78 34.131 31.970 42.730 1.00 0.00 H new ATOM 1466 N ASN B 201 28.353 35.754 33.730 1.00 0.00 N ATOM 1467 CA ASN B 201 27.890 35.185 32.503 1.00 0.00 C ATOM 1468 C ASN B 201 28.974 35.015 31.495 1.00 0.00 C ATOM 1469 O ASN B 201 29.834 35.884 31.362 1.00 0.00 O ATOM 1470 CB ASN B 201 26.797 36.051 31.854 1.00 0.00 C ATOM 1471 CG ASN B 201 25.564 36.186 32.737 1.00 0.00 C ATOM 1472 OD1 ASN B 201 25.619 36.684 33.861 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.382 35.780 32.202 1.00 0.00 N ATOM 0 HA ASN B 201 27.496 34.207 32.780 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.200 37.042 31.643 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.510 35.613 30.898 1.00 0.00 H new ATOM 0 HD21 ASN B 201 23.518 35.886 32.734 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.359 35.370 31.268 1.00 0.00 H new ATOM 1480 N ILE B 202 28.968 33.904 30.737 1.00 0.00 N ATOM 1481 CA ILE B 202 30.026 33.444 29.893 1.00 0.00 C ATOM 1482 C ILE B 202 30.600 34.434 28.939 1.00 0.00 C ATOM 1483 O ILE B 202 31.787 34.417 28.616 1.00 0.00 O ATOM 1484 CB ILE B 202 29.676 32.120 29.279 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.528 31.039 29.964 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.756 32.082 27.744 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.217 29.597 29.565 1.00 0.00 C ATOM 0 H ILE B 202 28.161 33.281 30.714 1.00 0.00 H new ATOM 0 HA ILE B 202 30.877 33.293 30.557 1.00 0.00 H new ATOM 0 HB ILE B 202 28.619 31.926 29.460 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.577 31.238 29.747 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.402 31.133 31.043 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.487 31.087 27.390 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.066 32.815 27.325 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.772 32.317 27.427 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.876 28.919 30.108 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.180 29.368 29.809 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.373 29.474 28.493 1.00 0.00 H new ATOM 1499 N GLN B 203 29.792 35.415 28.502 1.00 0.00 N ATOM 1500 CA GLN B 203 30.194 36.566 27.753 1.00 0.00 C ATOM 1501 C GLN B 203 31.297 37.396 28.314 1.00 0.00 C ATOM 1502 O GLN B 203 32.055 38.011 27.566 1.00 0.00 O ATOM 1503 CB GLN B 203 28.974 37.464 27.493 1.00 0.00 C ATOM 1504 CG GLN B 203 28.381 38.140 28.732 1.00 0.00 C ATOM 1505 CD GLN B 203 27.052 38.791 28.379 1.00 0.00 C ATOM 1506 OE1 GLN B 203 25.993 38.261 28.713 1.00 0.00 O ATOM 1507 NE2 GLN B 203 27.102 39.952 27.672 1.00 0.00 N ATOM 0 H GLN B 203 28.789 35.403 28.685 1.00 0.00 H new ATOM 0 HA GLN B 203 30.612 36.145 26.839 1.00 0.00 H new ATOM 0 HB2 GLN B 203 29.259 38.237 26.779 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.197 36.864 27.020 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.237 37.405 29.524 1.00 0.00 H new ATOM 0 HG3 GLN B 203 29.073 38.890 29.115 1.00 0.00 H new ATOM 0 HE21 GLN B 203 28.003 40.355 27.417 1.00 0.00 H new ATOM 0 HE22 GLN B 203 26.238 40.419 27.397 1.00 0.00 H new ATOM 1516 N MET B 204 31.476 37.431 29.647 1.00 0.00 N ATOM 1517 CA MET B 204 32.549 38.106 30.309 1.00 0.00 C ATOM 1518 C MET B 204 33.900 37.563 29.996 1.00 0.00 C ATOM 1519 O MET B 204 34.886 38.298 29.959 1.00 0.00 O ATOM 1520 CB MET B 204 32.314 38.126 31.830 1.00 0.00 C ATOM 1521 CG MET B 204 31.465 39.333 32.231 1.00 0.00 C ATOM 1522 SD MET B 204 30.555 39.169 33.797 1.00 0.00 S ATOM 1523 CE MET B 204 32.023 39.377 34.845 1.00 0.00 C ATOM 0 H MET B 204 30.841 36.965 30.295 1.00 0.00 H new ATOM 0 HA MET B 204 32.544 39.124 29.919 1.00 0.00 H new ATOM 0 HB2 MET B 204 31.816 37.207 32.138 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.271 38.160 32.350 1.00 0.00 H new ATOM 0 HG2 MET B 204 32.115 40.205 32.299 1.00 0.00 H new ATOM 0 HG3 MET B 204 30.748 39.531 31.434 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.232 38.444 35.368 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.878 39.645 34.224 1.00 0.00 H new ATOM 0 HE3 MET B 204 31.841 40.168 35.573 1.00 0.00 H new ATOM 1533 N LEU B 205 34.013 36.264 29.669 1.00 0.00 N ATOM 1534 CA LEU B 205 35.223 35.675 29.184 1.00 0.00 C ATOM 1535 C LEU B 205 35.676 36.222 27.873 1.00 0.00 C ATOM 1536 O LEU B 205 36.866 36.372 27.599 1.00 0.00 O ATOM 1537 CB LEU B 205 35.120 34.145 29.074 1.00 0.00 C ATOM 1538 CG LEU B 205 34.937 33.429 30.422 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.691 31.929 30.184 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.164 33.627 31.330 1.00 0.00 C ATOM 0 H LEU B 205 33.240 35.603 29.744 1.00 0.00 H new ATOM 0 HA LEU B 205 35.969 35.940 29.933 1.00 0.00 H new ATOM 0 HB2 LEU B 205 34.281 33.894 28.425 1.00 0.00 H new ATOM 0 HB3 LEU B 205 36.021 33.765 28.592 1.00 0.00 H new ATOM 0 HG LEU B 205 34.074 33.863 30.926 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.562 31.425 31.142 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.792 31.799 29.581 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.545 31.499 29.660 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.004 33.109 32.276 1.00 0.00 H new ATOM 0 HD22 LEU B 205 37.049 33.222 30.839 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.309 34.691 31.519 1.00 0.00 H new ATOM 1552 N LEU B 206 34.691 36.604 27.041 1.00 0.00 N ATOM 1553 CA LEU B 206 34.889 37.020 25.688 1.00 0.00 C ATOM 1554 C LEU B 206 35.336 38.442 25.669 1.00 0.00 C ATOM 1555 O LEU B 206 35.969 38.916 24.727 1.00 0.00 O ATOM 1556 CB LEU B 206 33.633 36.606 24.903 1.00 0.00 C ATOM 1557 CG LEU B 206 33.198 35.169 25.236 1.00 0.00 C ATOM 1558 CD1 LEU B 206 31.974 34.693 24.434 1.00 0.00 C ATOM 1559 CD2 LEU B 206 34.388 34.195 25.195 1.00 0.00 C ATOM 0 H LEU B 206 33.712 36.624 27.325 1.00 0.00 H new ATOM 0 HA LEU B 206 35.706 36.529 25.160 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.819 37.294 25.131 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.829 36.688 23.834 1.00 0.00 H new ATOM 0 HG LEU B 206 32.846 35.180 26.267 1.00 0.00 H new ATOM 0 HD11 LEU B 206 31.725 33.672 24.722 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.126 35.345 24.643 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.202 34.724 23.369 1.00 0.00 H new ATOM 0 HD21 LEU B 206 34.043 33.189 25.435 1.00 0.00 H new ATOM 0 HD22 LEU B 206 34.828 34.199 24.198 1.00 0.00 H new ATOM 0 HD23 LEU B 206 35.137 34.505 25.923 1.00 0.00 H new ATOM 1571 N GLU B 207 35.073 39.155 26.778 1.00 0.00 N ATOM 1572 CA GLU B 207 35.626 40.444 27.055 1.00 0.00 C ATOM 1573 C GLU B 207 37.007 40.346 27.607 1.00 0.00 C ATOM 1574 O GLU B 207 37.931 41.003 27.132 1.00 0.00 O ATOM 1575 CB GLU B 207 34.768 41.270 28.027 1.00 0.00 C ATOM 1576 CG GLU B 207 33.358 41.568 27.512 1.00 0.00 C ATOM 1577 CD GLU B 207 32.634 42.619 28.342 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.119 43.781 28.413 1.00 0.00 O ATOM 1579 OE2 GLU B 207 31.540 42.315 28.886 1.00 0.00 O ATOM 0 H GLU B 207 34.449 38.820 27.512 1.00 0.00 H new ATOM 0 HA GLU B 207 35.648 40.956 26.093 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.693 40.735 28.974 1.00 0.00 H new ATOM 0 HB3 GLU B 207 35.275 42.212 28.233 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.419 41.907 26.478 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.775 40.647 27.512 1.00 0.00 H new ATOM 1586 N ALA B 208 37.199 39.516 28.646 1.00 0.00 N ATOM 1587 CA ALA B 208 38.442 39.317 29.326 1.00 0.00 C ATOM 1588 C ALA B 208 39.525 38.775 28.458 1.00 0.00 C ATOM 1589 O ALA B 208 40.673 39.207 28.551 1.00 0.00 O ATOM 1590 CB ALA B 208 38.220 38.399 30.540 1.00 0.00 C ATOM 0 H ALA B 208 36.444 38.951 29.034 1.00 0.00 H new ATOM 0 HA ALA B 208 38.785 40.301 29.648 1.00 0.00 H new ATOM 0 HB1 ALA B 208 39.166 38.247 31.059 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.504 38.861 31.220 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.832 37.438 30.203 1.00 0.00 H new ATOM 1596 N ALA B 209 39.209 37.849 27.536 1.00 0.00 N ATOM 1597 CA ALA B 209 40.108 37.313 26.561 1.00 0.00 C ATOM 1598 C ALA B 209 40.646 38.325 25.609 1.00 0.00 C ATOM 1599 O ALA B 209 41.840 38.330 25.312 1.00 0.00 O ATOM 1600 CB ALA B 209 39.400 36.197 25.774 1.00 0.00 C ATOM 0 H ALA B 209 38.272 37.452 27.467 1.00 0.00 H new ATOM 0 HA ALA B 209 40.965 36.926 27.113 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.083 35.787 25.030 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.093 35.407 26.459 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.522 36.605 25.274 1.00 0.00 H new ATOM 1606 N ASP B 210 39.796 39.251 25.130 1.00 0.00 N ATOM 1607 CA ASP B 210 40.155 40.319 24.250 1.00 0.00 C ATOM 1608 C ASP B 210 41.030 41.315 24.929 1.00 0.00 C ATOM 1609 O ASP B 210 42.089 41.701 24.437 1.00 0.00 O ATOM 1610 CB ASP B 210 38.847 40.956 23.751 1.00 0.00 C ATOM 1611 CG ASP B 210 39.068 41.882 22.564 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.462 41.380 21.477 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.836 43.112 22.699 1.00 0.00 O ATOM 0 H ASP B 210 38.805 39.254 25.370 1.00 0.00 H new ATOM 0 HA ASP B 210 40.735 39.940 23.408 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.147 40.169 23.469 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.386 41.516 24.564 1.00 0.00 H new ATOM 1618 N TYR B 211 40.636 41.713 26.152 1.00 0.00 N ATOM 1619 CA TYR B 211 41.364 42.554 27.049 1.00 0.00 C ATOM 1620 C TYR B 211 42.746 42.075 27.333 1.00 0.00 C ATOM 1621 O TYR B 211 43.705 42.841 27.259 1.00 0.00 O ATOM 1622 CB TYR B 211 40.485 42.694 28.303 1.00 0.00 C ATOM 1623 CG TYR B 211 41.131 43.347 29.476 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.792 42.560 30.390 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.039 44.703 29.687 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.347 43.118 31.517 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.601 45.267 30.808 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.246 44.473 31.727 1.00 0.00 C ATOM 1629 OH TYR B 211 42.774 45.042 32.905 1.00 0.00 O ATOM 0 H TYR B 211 39.739 41.423 26.542 1.00 0.00 H new ATOM 0 HA TYR B 211 41.547 43.529 26.598 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.595 43.264 28.038 1.00 0.00 H new ATOM 0 HB3 TYR B 211 40.150 41.701 28.602 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.876 41.497 30.221 1.00 0.00 H new ATOM 0 HD2 TYR B 211 40.524 45.326 28.971 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.860 42.495 32.234 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.536 46.333 30.967 1.00 0.00 H new ATOM 0 HH TYR B 211 42.621 46.010 32.898 1.00 0.00 H new ATOM 1639 N LEU B 212 42.922 40.783 27.658 1.00 0.00 N ATOM 1640 CA LEU B 212 44.194 40.198 27.953 1.00 0.00 C ATOM 1641 C LEU B 212 45.081 40.018 26.770 1.00 0.00 C ATOM 1642 O LEU B 212 46.303 40.098 26.887 1.00 0.00 O ATOM 1643 CB LEU B 212 44.009 38.870 28.705 1.00 0.00 C ATOM 1644 CG LEU B 212 44.135 38.996 30.232 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.532 37.727 30.857 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.588 39.205 30.692 1.00 0.00 C ATOM 0 H LEU B 212 42.150 40.119 27.718 1.00 0.00 H new ATOM 0 HA LEU B 212 44.710 40.916 28.590 1.00 0.00 H new ATOM 0 HB2 LEU B 212 43.028 38.461 28.464 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.750 38.155 28.347 1.00 0.00 H new ATOM 0 HG LEU B 212 43.594 39.883 30.563 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.606 37.786 31.943 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.484 37.642 30.569 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.078 36.852 30.503 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.617 39.287 31.778 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.195 38.357 30.376 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.982 40.119 30.248 1.00 0.00 H new ATOM 1658 N GLU B 213 44.518 39.825 25.565 1.00 0.00 N ATOM 1659 CA GLU B 213 45.224 39.850 24.321 1.00 0.00 C ATOM 1660 C GLU B 213 45.798 41.191 24.021 1.00 0.00 C ATOM 1661 O GLU B 213 46.914 41.307 23.518 1.00 0.00 O ATOM 1662 CB GLU B 213 44.304 39.296 23.221 1.00 0.00 C ATOM 1663 CG GLU B 213 44.433 39.944 21.840 1.00 0.00 C ATOM 1664 CD GLU B 213 43.828 39.094 20.732 1.00 0.00 C ATOM 1665 OE1 GLU B 213 44.541 38.180 20.240 1.00 0.00 O ATOM 1666 OE2 GLU B 213 42.655 39.329 20.337 1.00 0.00 O ATOM 0 H GLU B 213 43.521 39.642 25.452 1.00 0.00 H new ATOM 0 HA GLU B 213 46.099 39.203 24.380 1.00 0.00 H new ATOM 0 HB2 GLU B 213 44.498 38.228 23.118 1.00 0.00 H new ATOM 0 HB3 GLU B 213 43.271 39.401 23.553 1.00 0.00 H new ATOM 0 HG2 GLU B 213 43.943 40.918 21.853 1.00 0.00 H new ATOM 0 HG3 GLU B 213 45.487 40.120 21.623 1.00 0.00 H new ATOM 1673 N ARG B 214 45.079 42.269 24.381 1.00 0.00 N ATOM 1674 CA ARG B 214 45.467 43.637 24.234 1.00 0.00 C ATOM 1675 C ARG B 214 46.403 44.140 25.279 1.00 0.00 C ATOM 1676 O ARG B 214 47.075 45.153 25.090 1.00 0.00 O ATOM 1677 CB ARG B 214 44.212 44.520 24.122 1.00 0.00 C ATOM 1678 CG ARG B 214 43.436 44.248 22.832 1.00 0.00 C ATOM 1679 CD ARG B 214 41.981 44.722 22.833 1.00 0.00 C ATOM 1680 NE ARG B 214 41.968 46.210 22.911 1.00 0.00 N ATOM 1681 CZ ARG B 214 40.901 46.972 22.528 1.00 0.00 C ATOM 1682 NH1 ARG B 214 39.779 46.462 21.942 1.00 0.00 N ATOM 1683 NH2 ARG B 214 40.944 48.323 22.714 1.00 0.00 N ATOM 0 H ARG B 214 44.157 42.175 24.807 1.00 0.00 H new ATOM 0 HA ARG B 214 46.046 43.694 23.312 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.564 44.340 24.980 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.503 45.570 24.156 1.00 0.00 H new ATOM 0 HG2 ARG B 214 43.957 44.730 22.005 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.452 43.176 22.637 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.473 44.386 21.929 1.00 0.00 H new ATOM 0 HD3 ARG B 214 41.444 44.294 23.679 1.00 0.00 H new ATOM 0 HE ARG B 214 42.798 46.683 23.268 1.00 0.00 H new ATOM 0 HH11 ARG B 214 39.705 45.460 21.768 1.00 0.00 H new ATOM 0 HH12 ARG B 214 39.014 47.083 21.678 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.767 48.754 23.135 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.153 48.902 22.432 1.00 0.00 H new ATOM 1697 N ARG B 215 46.538 43.468 26.436 1.00 0.00 N ATOM 1698 CA ARG B 215 47.523 43.744 27.435 1.00 0.00 C ATOM 1699 C ARG B 215 48.927 43.657 26.945 1.00 0.00 C ATOM 1700 O ARG B 215 49.813 44.363 27.425 1.00 0.00 O ATOM 1701 CB ARG B 215 47.377 42.823 28.659 1.00 0.00 C ATOM 1702 CG ARG B 215 46.290 43.247 29.649 1.00 0.00 C ATOM 1703 CD ARG B 215 46.698 44.371 30.604 1.00 0.00 C ATOM 1704 NE ARG B 215 47.776 43.839 31.485 1.00 0.00 N ATOM 1705 CZ ARG B 215 48.561 44.617 32.287 1.00 0.00 C ATOM 1706 NH1 ARG B 215 48.398 45.969 32.384 1.00 0.00 N ATOM 1707 NH2 ARG B 215 49.546 44.017 33.018 1.00 0.00 N ATOM 0 H ARG B 215 45.927 42.691 26.687 1.00 0.00 H new ATOM 0 HA ARG B 215 47.330 44.779 27.718 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.161 41.812 28.313 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.332 42.783 29.183 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.411 43.566 29.088 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.994 42.378 30.237 1.00 0.00 H new ATOM 0 HD2 ARG B 215 47.051 45.239 30.047 1.00 0.00 H new ATOM 0 HD3 ARG B 215 45.845 44.699 31.197 1.00 0.00 H new ATOM 0 HE ARG B 215 47.937 42.832 31.489 1.00 0.00 H new ATOM 0 HH11 ARG B 215 47.668 46.435 31.845 1.00 0.00 H new ATOM 0 HH12 ARG B 215 49.006 46.513 32.995 1.00 0.00 H new ATOM 0 HH21 ARG B 215 49.683 43.008 32.958 1.00 0.00 H new ATOM 0 HH22 ARG B 215 50.145 44.578 33.624 1.00 0.00 H new