USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 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 :FLIP amide:sc= 0 F(o=-2,f=-0.38) USER MOD Set 1.2: A 81 MET CE :methyl 141:sc= -0.377 (180deg=-1.51!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.103 USER MOD Set 2.2: A 16 GLN : amide:sc= -0.569 X(o=-0.47,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00691) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.153 X(o=0.15,f=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -0.0891 (180deg=-0.0972) USER MOD Single : A 18 ASN : amide:sc= -0.54 K(o=-0.54,f=-3.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -3.82! 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+ -127:sc= -0.0133 (180deg=-0.188) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.834 (180deg=0.828) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 155:sc= -0.199 (180deg=-1.11) USER MOD Single : A 51 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.065) USER MOD Single : A 53 THR OG1 : rot 179:sc= 0.0478 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0565 F(o=-0.64,f=-0.056) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.365 (180deg=-2.19!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 23:sc= 0.264 USER MOD Single : A 80 MET CE :methyl 169:sc= -4.39! (180deg=-4.7!) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.796 -0.691 7.477 1.00 0.00 N ATOM 2 CA MET A 1 89.542 0.556 7.817 1.00 0.00 C ATOM 3 C MET A 1 89.143 1.685 6.865 1.00 0.00 C ATOM 4 O MET A 1 88.910 2.805 7.277 1.00 0.00 O ATOM 5 CB MET A 1 91.017 0.196 7.635 1.00 0.00 C ATOM 6 CG MET A 1 91.889 1.241 8.334 1.00 0.00 C ATOM 7 SD MET A 1 91.872 0.943 10.119 1.00 0.00 S ATOM 8 CE MET A 1 93.356 1.897 10.523 1.00 0.00 C ATOM 0 H1 MET A 1 89.036 -1.437 8.161 1.00 0.00 H new ATOM 0 H2 MET A 1 87.773 -0.505 7.513 1.00 0.00 H new ATOM 0 H3 MET A 1 89.058 -1.002 6.520 1.00 0.00 H new ATOM 0 HA MET A 1 89.329 0.903 8.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 91.214 -0.793 8.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 91.263 0.153 6.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 92.910 1.190 7.956 1.00 0.00 H new ATOM 0 HG3 MET A 1 91.518 2.243 8.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.538 1.850 11.597 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.212 1.481 9.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.213 2.936 10.225 1.00 0.00 H new ATOM 20 N ASP A 2 89.063 1.403 5.594 1.00 0.00 N ATOM 21 CA ASP A 2 88.679 2.461 4.617 1.00 0.00 C ATOM 22 C ASP A 2 87.389 2.072 3.892 1.00 0.00 C ATOM 23 O ASP A 2 87.248 0.967 3.406 1.00 0.00 O ATOM 24 CB ASP A 2 89.847 2.533 3.632 1.00 0.00 C ATOM 25 CG ASP A 2 89.686 3.764 2.740 1.00 0.00 C ATOM 26 OD1 ASP A 2 88.563 4.058 2.366 1.00 0.00 O ATOM 27 OD2 ASP A 2 90.690 4.394 2.446 1.00 0.00 O ATOM 0 H ASP A 2 89.247 0.485 5.189 1.00 0.00 H new ATOM 0 HA ASP A 2 88.493 3.420 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 2 90.791 2.584 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 2 89.878 1.630 3.022 1.00 0.00 H new ATOM 32 N ASP A 3 86.446 2.970 3.816 1.00 0.00 N ATOM 33 CA ASP A 3 85.165 2.650 3.123 1.00 0.00 C ATOM 34 C ASP A 3 84.505 1.428 3.768 1.00 0.00 C ATOM 35 O ASP A 3 84.984 0.318 3.651 1.00 0.00 O ATOM 36 CB ASP A 3 85.562 2.347 1.677 1.00 0.00 C ATOM 37 CG ASP A 3 85.067 3.469 0.765 1.00 0.00 C ATOM 38 OD1 ASP A 3 84.026 4.034 1.064 1.00 0.00 O ATOM 39 OD2 ASP A 3 85.735 3.747 -0.217 1.00 0.00 O ATOM 0 H ASP A 3 86.506 3.912 4.204 1.00 0.00 H new ATOM 0 HA ASP A 3 84.446 3.467 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 3 86.645 2.252 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 3 85.135 1.394 1.364 1.00 0.00 H new ATOM 44 N ILE A 4 83.410 1.625 4.450 1.00 0.00 N ATOM 45 CA ILE A 4 82.722 0.475 5.103 1.00 0.00 C ATOM 46 C ILE A 4 81.498 0.057 4.284 1.00 0.00 C ATOM 47 O ILE A 4 81.048 -1.071 4.354 1.00 0.00 O ATOM 48 CB ILE A 4 82.297 0.996 6.478 1.00 0.00 C ATOM 49 CG1 ILE A 4 81.119 1.959 6.317 1.00 0.00 C ATOM 50 CG2 ILE A 4 83.469 1.731 7.131 1.00 0.00 C ATOM 51 CD1 ILE A 4 80.595 2.363 7.696 1.00 0.00 C ATOM 0 H ILE A 4 82.962 2.532 4.583 1.00 0.00 H new ATOM 0 HA ILE A 4 83.365 -0.401 5.181 1.00 0.00 H new ATOM 0 HB ILE A 4 81.998 0.157 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 4 81.432 2.843 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 4 80.325 1.485 5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 4 83.166 2.102 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 4 84.309 1.046 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 4 83.768 2.570 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 4 79.756 3.049 7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 4 80.265 1.475 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 4 81.390 2.854 8.258 1.00 0.00 H new ATOM 63 N TYR A 5 80.958 0.954 3.507 1.00 0.00 N ATOM 64 CA TYR A 5 79.764 0.606 2.683 1.00 0.00 C ATOM 65 C TYR A 5 80.184 -0.226 1.469 1.00 0.00 C ATOM 66 O TYR A 5 79.417 -1.008 0.944 1.00 0.00 O ATOM 67 CB TYR A 5 79.183 1.947 2.236 1.00 0.00 C ATOM 68 CG TYR A 5 78.874 2.792 3.449 1.00 0.00 C ATOM 69 CD1 TYR A 5 77.772 2.481 4.256 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.687 3.886 3.766 1.00 0.00 C ATOM 71 CE1 TYR A 5 77.485 3.264 5.380 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.399 4.670 4.890 1.00 0.00 C ATOM 73 CZ TYR A 5 78.299 4.359 5.697 1.00 0.00 C ATOM 74 OH TYR A 5 78.015 5.131 6.804 1.00 0.00 O ATOM 0 H TYR A 5 81.291 1.913 3.406 1.00 0.00 H new ATOM 0 HA TYR A 5 79.038 0.014 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.892 2.465 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.277 1.786 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.144 1.637 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.537 4.126 3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 5 76.636 3.024 6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.026 5.515 5.134 1.00 0.00 H new ATOM 0 HH TYR A 5 78.678 5.849 6.881 1.00 0.00 H new ATOM 84 N LYS A 6 81.398 -0.063 1.016 1.00 0.00 N ATOM 85 CA LYS A 6 81.863 -0.846 -0.164 1.00 0.00 C ATOM 86 C LYS A 6 81.789 -2.345 0.135 1.00 0.00 C ATOM 87 O LYS A 6 81.615 -3.157 -0.751 1.00 0.00 O ATOM 88 CB LYS A 6 83.314 -0.413 -0.381 1.00 0.00 C ATOM 89 CG LYS A 6 83.672 -0.552 -1.862 1.00 0.00 C ATOM 90 CD LYS A 6 84.756 0.466 -2.225 1.00 0.00 C ATOM 91 CE LYS A 6 85.504 -0.007 -3.475 1.00 0.00 C ATOM 92 NZ LYS A 6 86.847 0.630 -3.382 1.00 0.00 N ATOM 0 H LYS A 6 82.086 0.577 1.411 1.00 0.00 H new ATOM 0 HA LYS A 6 81.249 -0.667 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 6 83.449 0.620 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.982 -1.026 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 6 84.024 -1.563 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 6 82.787 -0.391 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 6 84.307 1.443 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 6 85.452 0.583 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 6 85.583 -1.094 -3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 6 84.985 0.296 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 87.420 0.353 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 86.740 1.664 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 87.320 0.318 -2.510 1.00 0.00 H new ATOM 106 N ALA A 7 81.918 -2.717 1.379 1.00 0.00 N ATOM 107 CA ALA A 7 81.853 -4.163 1.734 1.00 0.00 C ATOM 108 C ALA A 7 80.394 -4.624 1.802 1.00 0.00 C ATOM 109 O ALA A 7 80.086 -5.775 1.565 1.00 0.00 O ATOM 110 CB ALA A 7 82.515 -4.263 3.109 1.00 0.00 C ATOM 0 H ALA A 7 82.065 -2.083 2.164 1.00 0.00 H new ATOM 0 HA ALA A 7 82.350 -4.794 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.507 -5.301 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.544 -3.911 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 7 81.966 -3.649 3.823 1.00 0.00 H new ATOM 116 N ALA A 8 79.494 -3.735 2.124 1.00 0.00 N ATOM 117 CA ALA A 8 78.057 -4.126 2.204 1.00 0.00 C ATOM 118 C ALA A 8 77.640 -4.857 0.927 1.00 0.00 C ATOM 119 O ALA A 8 77.000 -5.889 0.971 1.00 0.00 O ATOM 120 CB ALA A 8 77.292 -2.809 2.338 1.00 0.00 C ATOM 0 H ALA A 8 79.691 -2.757 2.335 1.00 0.00 H new ATOM 0 HA ALA A 8 77.859 -4.799 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.223 -3.014 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.617 -2.290 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.489 -2.183 1.468 1.00 0.00 H new ATOM 126 N VAL A 9 77.997 -4.328 -0.211 1.00 0.00 N ATOM 127 CA VAL A 9 77.621 -4.992 -1.491 1.00 0.00 C ATOM 128 C VAL A 9 78.674 -6.037 -1.877 1.00 0.00 C ATOM 129 O VAL A 9 78.412 -6.939 -2.647 1.00 0.00 O ATOM 130 CB VAL A 9 77.582 -3.865 -2.524 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.860 -4.351 -3.783 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.832 -2.664 -1.940 1.00 0.00 C ATOM 0 H VAL A 9 78.532 -3.465 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 9 76.667 -5.515 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 9 78.600 -3.571 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.832 -3.548 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 9 77.391 -5.207 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.842 -4.645 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.804 -1.860 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.814 -2.959 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 9 77.344 -2.317 -1.043 1.00 0.00 H new ATOM 142 N GLU A 10 79.861 -5.921 -1.348 1.00 0.00 N ATOM 143 CA GLU A 10 80.928 -6.907 -1.687 1.00 0.00 C ATOM 144 C GLU A 10 80.632 -8.257 -1.028 1.00 0.00 C ATOM 145 O GLU A 10 81.076 -9.292 -1.484 1.00 0.00 O ATOM 146 CB GLU A 10 82.216 -6.306 -1.124 1.00 0.00 C ATOM 147 CG GLU A 10 83.264 -6.211 -2.234 1.00 0.00 C ATOM 148 CD GLU A 10 83.402 -4.757 -2.684 1.00 0.00 C ATOM 149 OE1 GLU A 10 84.181 -4.041 -2.076 1.00 0.00 O ATOM 150 OE2 GLU A 10 82.725 -4.382 -3.628 1.00 0.00 O ATOM 0 H GLU A 10 80.139 -5.187 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 10 80.997 -7.087 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.018 -5.317 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.591 -6.923 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.223 -6.584 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.973 -6.837 -3.077 1.00 0.00 H new ATOM 157 N GLN A 11 79.884 -8.253 0.041 1.00 0.00 N ATOM 158 CA GLN A 11 79.559 -9.537 0.729 1.00 0.00 C ATOM 159 C GLN A 11 78.328 -10.184 0.087 1.00 0.00 C ATOM 160 O GLN A 11 78.282 -11.380 -0.122 1.00 0.00 O ATOM 161 CB GLN A 11 79.264 -9.146 2.177 1.00 0.00 C ATOM 162 CG GLN A 11 80.429 -9.576 3.071 1.00 0.00 C ATOM 163 CD GLN A 11 81.748 -9.125 2.443 1.00 0.00 C ATOM 164 OE1 GLN A 11 82.571 -9.942 2.079 1.00 0.00 O ATOM 165 NE2 GLN A 11 81.988 -7.850 2.299 1.00 0.00 N ATOM 0 H GLN A 11 79.484 -7.418 0.468 1.00 0.00 H new ATOM 0 HA GLN A 11 80.371 -10.260 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 11 79.114 -8.069 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 11 78.341 -9.620 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 11 80.319 -9.140 4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.425 -10.659 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.298 -7.164 2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.865 -7.540 1.881 1.00 0.00 H new ATOM 174 N LEU A 12 77.331 -9.402 -0.225 1.00 0.00 N ATOM 175 CA LEU A 12 76.104 -9.970 -0.851 1.00 0.00 C ATOM 176 C LEU A 12 76.456 -10.680 -2.162 1.00 0.00 C ATOM 177 O LEU A 12 77.391 -10.314 -2.846 1.00 0.00 O ATOM 178 CB LEU A 12 75.201 -8.767 -1.120 1.00 0.00 C ATOM 179 CG LEU A 12 74.789 -8.129 0.208 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.668 -7.119 -0.036 1.00 0.00 C ATOM 181 CD2 LEU A 12 74.293 -9.218 1.162 1.00 0.00 C ATOM 0 H LEU A 12 77.313 -8.394 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 12 75.620 -10.708 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.724 -8.038 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.317 -9.080 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 12 75.647 -7.620 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.375 -6.665 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.019 -6.344 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.810 -7.627 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.999 -8.766 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.435 -9.726 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.091 -9.940 1.337 1.00 0.00 H new ATOM 193 N THR A 13 75.713 -11.692 -2.516 1.00 0.00 N ATOM 194 CA THR A 13 76.004 -12.425 -3.782 1.00 0.00 C ATOM 195 C THR A 13 74.913 -12.141 -4.819 1.00 0.00 C ATOM 196 O THR A 13 73.880 -11.582 -4.508 1.00 0.00 O ATOM 197 CB THR A 13 76.000 -13.905 -3.391 1.00 0.00 C ATOM 198 OG1 THR A 13 75.306 -14.065 -2.162 1.00 0.00 O ATOM 199 CG2 THR A 13 77.439 -14.397 -3.236 1.00 0.00 C ATOM 0 H THR A 13 74.917 -12.044 -1.984 1.00 0.00 H new ATOM 0 HA THR A 13 76.952 -12.123 -4.227 1.00 0.00 H new ATOM 0 HB THR A 13 75.503 -14.486 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 13 75.301 -15.012 -1.910 1.00 0.00 H new ATOM 0 HG21 THR A 13 77.435 -15.451 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.970 -14.273 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.940 -13.818 -2.460 1.00 0.00 H new ATOM 207 N GLU A 14 75.133 -12.522 -6.047 1.00 0.00 N ATOM 208 CA GLU A 14 74.106 -12.272 -7.098 1.00 0.00 C ATOM 209 C GLU A 14 72.731 -12.743 -6.614 1.00 0.00 C ATOM 210 O GLU A 14 71.780 -11.989 -6.587 1.00 0.00 O ATOM 211 CB GLU A 14 74.561 -13.095 -8.304 1.00 0.00 C ATOM 212 CG GLU A 14 74.673 -12.184 -9.528 1.00 0.00 C ATOM 213 CD GLU A 14 74.800 -13.037 -10.792 1.00 0.00 C ATOM 214 OE1 GLU A 14 74.947 -14.241 -10.658 1.00 0.00 O ATOM 215 OE2 GLU A 14 74.748 -12.473 -11.872 1.00 0.00 O ATOM 0 H GLU A 14 75.978 -12.995 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 14 74.013 -11.213 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.523 -13.563 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 73.851 -13.898 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 14 73.795 -11.541 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 14 75.540 -11.530 -9.429 1.00 0.00 H new ATOM 222 N GLU A 15 72.622 -13.986 -6.228 1.00 0.00 N ATOM 223 CA GLU A 15 71.309 -14.501 -5.744 1.00 0.00 C ATOM 224 C GLU A 15 70.708 -13.535 -4.720 1.00 0.00 C ATOM 225 O GLU A 15 69.514 -13.314 -4.687 1.00 0.00 O ATOM 226 CB GLU A 15 71.629 -15.846 -5.089 1.00 0.00 C ATOM 227 CG GLU A 15 71.197 -16.983 -6.018 1.00 0.00 C ATOM 228 CD GLU A 15 72.362 -17.954 -6.214 1.00 0.00 C ATOM 229 OE1 GLU A 15 73.295 -17.897 -5.430 1.00 0.00 O ATOM 230 OE2 GLU A 15 72.301 -18.742 -7.145 1.00 0.00 O ATOM 0 H GLU A 15 73.383 -14.665 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 15 70.582 -14.602 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 15 72.697 -15.917 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.113 -15.928 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 15 70.340 -17.507 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 15 70.880 -16.580 -6.980 1.00 0.00 H new ATOM 237 N GLN A 16 71.529 -12.955 -3.887 1.00 0.00 N ATOM 238 CA GLN A 16 71.005 -12.001 -2.867 1.00 0.00 C ATOM 239 C GLN A 16 70.630 -10.673 -3.530 1.00 0.00 C ATOM 240 O GLN A 16 69.589 -10.106 -3.265 1.00 0.00 O ATOM 241 CB GLN A 16 72.159 -11.799 -1.884 1.00 0.00 C ATOM 242 CG GLN A 16 72.145 -12.916 -0.839 1.00 0.00 C ATOM 243 CD GLN A 16 72.861 -12.440 0.426 1.00 0.00 C ATOM 244 OE1 GLN A 16 72.235 -11.947 1.343 1.00 0.00 O ATOM 245 NE2 GLN A 16 74.157 -12.566 0.514 1.00 0.00 N ATOM 0 H GLN A 16 72.538 -13.100 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 16 70.108 -12.376 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 16 73.109 -11.799 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 16 72.068 -10.829 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 16 71.118 -13.196 -0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.636 -13.805 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 16 74.683 -12.980 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 16 74.644 -12.251 1.353 1.00 0.00 H new ATOM 254 N LYS A 17 71.473 -10.172 -4.392 1.00 0.00 N ATOM 255 CA LYS A 17 71.168 -8.880 -5.071 1.00 0.00 C ATOM 256 C LYS A 17 69.863 -8.995 -5.864 1.00 0.00 C ATOM 257 O LYS A 17 69.072 -8.073 -5.910 1.00 0.00 O ATOM 258 CB LYS A 17 72.349 -8.640 -6.014 1.00 0.00 C ATOM 259 CG LYS A 17 73.317 -7.642 -5.376 1.00 0.00 C ATOM 260 CD LYS A 17 74.606 -8.364 -4.979 1.00 0.00 C ATOM 261 CE LYS A 17 75.718 -8.006 -5.966 1.00 0.00 C ATOM 262 NZ LYS A 17 75.469 -8.868 -7.154 1.00 0.00 N ATOM 0 H LYS A 17 72.360 -10.602 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 17 71.038 -8.061 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.862 -9.580 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.993 -8.257 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.540 -6.837 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.859 -7.185 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.898 -8.080 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.444 -9.442 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.686 -6.949 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 17 76.702 -8.197 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 76.182 -8.668 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.529 -9.868 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 74.521 -8.671 -7.533 1.00 0.00 H new ATOM 276 N ASN A 18 69.630 -10.117 -6.486 1.00 0.00 N ATOM 277 CA ASN A 18 68.375 -10.286 -7.273 1.00 0.00 C ATOM 278 C ASN A 18 67.157 -10.145 -6.357 1.00 0.00 C ATOM 279 O ASN A 18 66.114 -9.673 -6.763 1.00 0.00 O ATOM 280 CB ASN A 18 68.454 -11.700 -7.849 1.00 0.00 C ATOM 281 CG ASN A 18 68.687 -11.621 -9.359 1.00 0.00 C ATOM 282 OD1 ASN A 18 68.545 -10.571 -9.953 1.00 0.00 O ATOM 283 ND2 ASN A 18 69.043 -12.694 -10.010 1.00 0.00 N ATOM 0 H ASN A 18 70.253 -10.924 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 18 68.273 -9.535 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 18 69.264 -12.254 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.532 -12.242 -7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 18 69.202 -12.651 -11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 18 69.163 -13.576 -9.512 1.00 0.00 H new ATOM 290 N GLU A 19 67.282 -10.546 -5.121 1.00 0.00 N ATOM 291 CA GLU A 19 66.131 -10.430 -4.182 1.00 0.00 C ATOM 292 C GLU A 19 65.835 -8.955 -3.894 1.00 0.00 C ATOM 293 O GLU A 19 64.757 -8.465 -4.163 1.00 0.00 O ATOM 294 CB GLU A 19 66.581 -11.146 -2.909 1.00 0.00 C ATOM 295 CG GLU A 19 65.664 -12.342 -2.644 1.00 0.00 C ATOM 296 CD GLU A 19 66.452 -13.641 -2.827 1.00 0.00 C ATOM 297 OE1 GLU A 19 67.193 -13.730 -3.793 1.00 0.00 O ATOM 298 OE2 GLU A 19 66.301 -14.524 -2.000 1.00 0.00 O ATOM 0 H GLU A 19 68.130 -10.948 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 19 65.219 -10.865 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 19 67.613 -11.482 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.553 -10.459 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 19 65.262 -12.288 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.814 -12.320 -3.327 1.00 0.00 H new ATOM 305 N PHE A 20 66.786 -8.245 -3.353 1.00 0.00 N ATOM 306 CA PHE A 20 66.556 -6.802 -3.056 1.00 0.00 C ATOM 307 C PHE A 20 66.291 -6.036 -4.353 1.00 0.00 C ATOM 308 O PHE A 20 65.533 -5.087 -4.383 1.00 0.00 O ATOM 309 CB PHE A 20 67.849 -6.320 -2.396 1.00 0.00 C ATOM 310 CG PHE A 20 67.690 -6.361 -0.895 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.542 -5.827 -0.299 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.690 -6.934 -0.100 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.393 -5.866 1.093 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.541 -6.972 1.292 1.00 0.00 C ATOM 315 CZ PHE A 20 67.393 -6.438 1.888 1.00 0.00 C ATOM 0 H PHE A 20 67.710 -8.599 -3.104 1.00 0.00 H new ATOM 0 HA PHE A 20 65.691 -6.643 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.684 -6.951 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 20 68.080 -5.306 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.771 -5.385 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.576 -7.346 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.507 -5.455 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.312 -7.414 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.279 -6.467 2.962 1.00 0.00 H new ATOM 325 N LYS A 21 66.906 -6.445 -5.430 1.00 0.00 N ATOM 326 CA LYS A 21 66.684 -5.744 -6.727 1.00 0.00 C ATOM 327 C LYS A 21 65.219 -5.875 -7.148 1.00 0.00 C ATOM 328 O LYS A 21 64.565 -4.903 -7.469 1.00 0.00 O ATOM 329 CB LYS A 21 67.597 -6.458 -7.725 1.00 0.00 C ATOM 330 CG LYS A 21 67.445 -5.819 -9.107 1.00 0.00 C ATOM 331 CD LYS A 21 67.604 -6.891 -10.187 1.00 0.00 C ATOM 332 CE LYS A 21 69.004 -6.795 -10.800 1.00 0.00 C ATOM 333 NZ LYS A 21 68.773 -6.694 -12.268 1.00 0.00 N ATOM 0 H LYS A 21 67.552 -7.234 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 21 66.905 -4.678 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.634 -6.394 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 21 67.343 -7.517 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.468 -5.343 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 21 68.193 -5.038 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 21 67.451 -7.881 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.847 -6.759 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 21 69.541 -5.924 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 21 69.604 -7.671 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 69.687 -6.625 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 68.266 -7.540 -12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 68.205 -5.847 -12.473 1.00 0.00 H new ATOM 347 N ALA A 22 64.697 -7.072 -7.143 1.00 0.00 N ATOM 348 CA ALA A 22 63.273 -7.264 -7.538 1.00 0.00 C ATOM 349 C ALA A 22 62.359 -6.475 -6.598 1.00 0.00 C ATOM 350 O ALA A 22 61.561 -5.665 -7.027 1.00 0.00 O ATOM 351 CB ALA A 22 63.021 -8.766 -7.396 1.00 0.00 C ATOM 0 H ALA A 22 65.195 -7.924 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 22 63.072 -6.913 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.990 -8.989 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.698 -9.312 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 63.196 -9.068 -6.363 1.00 0.00 H new ATOM 357 N ALA A 23 62.470 -6.703 -5.318 1.00 0.00 N ATOM 358 CA ALA A 23 61.609 -5.961 -4.351 1.00 0.00 C ATOM 359 C ALA A 23 61.791 -4.453 -4.535 1.00 0.00 C ATOM 360 O ALA A 23 60.875 -3.679 -4.346 1.00 0.00 O ATOM 361 CB ALA A 23 62.100 -6.395 -2.970 1.00 0.00 C ATOM 0 H ALA A 23 63.118 -7.370 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 23 60.549 -6.174 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.515 -5.891 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.985 -7.474 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.151 -6.130 -2.858 1.00 0.00 H new ATOM 367 N PHE A 24 62.970 -4.032 -4.903 1.00 0.00 N ATOM 368 CA PHE A 24 63.214 -2.575 -5.101 1.00 0.00 C ATOM 369 C PHE A 24 62.704 -2.137 -6.476 1.00 0.00 C ATOM 370 O PHE A 24 62.114 -1.085 -6.625 1.00 0.00 O ATOM 371 CB PHE A 24 64.732 -2.413 -5.015 1.00 0.00 C ATOM 372 CG PHE A 24 65.115 -1.015 -5.432 1.00 0.00 C ATOM 373 CD1 PHE A 24 65.311 -0.717 -6.785 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.277 -0.016 -4.465 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.667 0.579 -7.173 1.00 0.00 C ATOM 376 CE2 PHE A 24 65.634 1.282 -4.852 1.00 0.00 C ATOM 377 CZ PHE A 24 65.829 1.580 -6.206 1.00 0.00 C ATOM 0 H PHE A 24 63.775 -4.634 -5.075 1.00 0.00 H new ATOM 0 HA PHE A 24 62.697 -1.964 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 24 65.072 -2.606 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 24 65.223 -3.143 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 24 65.187 -1.488 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.127 -0.246 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.817 0.808 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 24 65.759 2.053 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.104 2.581 -6.505 1.00 0.00 H new ATOM 387 N ASP A 25 62.929 -2.937 -7.484 1.00 0.00 N ATOM 388 CA ASP A 25 62.457 -2.566 -8.849 1.00 0.00 C ATOM 389 C ASP A 25 60.930 -2.456 -8.868 1.00 0.00 C ATOM 390 O ASP A 25 60.348 -1.921 -9.790 1.00 0.00 O ATOM 391 CB ASP A 25 62.921 -3.709 -9.753 1.00 0.00 C ATOM 392 CG ASP A 25 62.731 -3.308 -11.217 1.00 0.00 C ATOM 393 OD1 ASP A 25 61.678 -2.783 -11.535 1.00 0.00 O ATOM 394 OD2 ASP A 25 63.644 -3.533 -11.995 1.00 0.00 O ATOM 0 H ASP A 25 63.418 -3.830 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 25 62.850 -1.603 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 25 63.969 -3.937 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 25 62.353 -4.613 -9.535 1.00 0.00 H new ATOM 399 N ILE A 26 60.278 -2.961 -7.858 1.00 0.00 N ATOM 400 CA ILE A 26 58.792 -2.888 -7.816 1.00 0.00 C ATOM 401 C ILE A 26 58.335 -1.504 -7.344 1.00 0.00 C ATOM 402 O ILE A 26 57.167 -1.278 -7.093 1.00 0.00 O ATOM 403 CB ILE A 26 58.380 -3.962 -6.817 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.523 -5.333 -7.478 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.926 -3.744 -6.397 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.968 -6.403 -6.546 1.00 0.00 C ATOM 0 H ILE A 26 60.712 -3.422 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 26 58.342 -3.045 -8.796 1.00 0.00 H new ATOM 0 HB ILE A 26 59.017 -3.908 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.988 -5.349 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.571 -5.535 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.634 -4.514 -5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.824 -2.762 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 26 56.282 -3.800 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 26 58.069 -7.382 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.523 -6.391 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.915 -6.202 -6.348 1.00 0.00 H new ATOM 418 N PHE A 27 59.245 -0.576 -7.220 1.00 0.00 N ATOM 419 CA PHE A 27 58.856 0.791 -6.763 1.00 0.00 C ATOM 420 C PHE A 27 59.493 1.854 -7.661 1.00 0.00 C ATOM 421 O PHE A 27 59.645 2.995 -7.273 1.00 0.00 O ATOM 422 CB PHE A 27 59.396 0.900 -5.338 1.00 0.00 C ATOM 423 CG PHE A 27 58.491 0.138 -4.400 1.00 0.00 C ATOM 424 CD1 PHE A 27 58.590 -1.255 -4.311 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.553 0.825 -3.621 1.00 0.00 C ATOM 426 CE1 PHE A 27 57.750 -1.962 -3.443 1.00 0.00 C ATOM 427 CE2 PHE A 27 56.712 0.118 -2.752 1.00 0.00 C ATOM 428 CZ PHE A 27 56.811 -1.276 -2.665 1.00 0.00 C ATOM 0 H PHE A 27 60.238 -0.704 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 27 57.778 0.948 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.409 0.500 -5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.452 1.946 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 27 59.314 -1.784 -4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 27 57.478 1.900 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 27 57.827 -3.037 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.988 0.647 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 27 56.162 -1.822 -1.997 1.00 0.00 H new ATOM 438 N VAL A 28 59.866 1.491 -8.858 1.00 0.00 N ATOM 439 CA VAL A 28 60.490 2.488 -9.775 1.00 0.00 C ATOM 440 C VAL A 28 59.417 3.137 -10.653 1.00 0.00 C ATOM 441 O VAL A 28 59.693 3.624 -11.731 1.00 0.00 O ATOM 442 CB VAL A 28 61.473 1.687 -10.627 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.047 2.585 -11.726 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.612 1.175 -9.744 1.00 0.00 C ATOM 0 H VAL A 28 59.766 0.551 -9.240 1.00 0.00 H new ATOM 0 HA VAL A 28 60.988 3.293 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 28 60.955 0.842 -11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.748 2.013 -12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.237 2.952 -12.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.565 3.430 -11.272 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.314 0.603 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.129 2.021 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 28 62.206 0.536 -8.960 1.00 0.00 H new ATOM 454 N LEU A 29 58.194 3.148 -10.197 1.00 0.00 N ATOM 455 CA LEU A 29 57.102 3.765 -11.003 1.00 0.00 C ATOM 456 C LEU A 29 57.532 5.147 -11.503 1.00 0.00 C ATOM 457 O LEU A 29 57.121 5.592 -12.556 1.00 0.00 O ATOM 458 CB LEU A 29 55.919 3.888 -10.041 1.00 0.00 C ATOM 459 CG LEU A 29 56.360 4.631 -8.779 1.00 0.00 C ATOM 460 CD1 LEU A 29 55.813 6.059 -8.808 1.00 0.00 C ATOM 461 CD2 LEU A 29 55.820 3.904 -7.546 1.00 0.00 C ATOM 0 H LEU A 29 57.904 2.756 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 29 56.852 3.171 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 29 55.100 4.422 -10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 55.545 2.898 -9.780 1.00 0.00 H new ATOM 0 HG LEU A 29 57.449 4.661 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 29 56.128 6.588 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 29 56.197 6.578 -9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 29 54.724 6.031 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 56.134 4.432 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 29 54.731 3.874 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 29 56.210 2.886 -7.524 1.00 0.00 H new ATOM 473 N GLY A 30 58.357 5.827 -10.755 1.00 0.00 N ATOM 474 CA GLY A 30 58.814 7.177 -11.186 1.00 0.00 C ATOM 475 C GLY A 30 60.262 7.391 -10.743 1.00 0.00 C ATOM 476 O GLY A 30 60.563 7.432 -9.567 1.00 0.00 O ATOM 0 H GLY A 30 58.734 5.505 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 30 58.736 7.270 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.173 7.945 -10.753 1.00 0.00 H new ATOM 480 N ALA A 31 61.163 7.529 -11.677 1.00 0.00 N ATOM 481 CA ALA A 31 62.593 7.739 -11.309 1.00 0.00 C ATOM 482 C ALA A 31 63.451 7.866 -12.571 1.00 0.00 C ATOM 483 O ALA A 31 63.000 7.604 -13.668 1.00 0.00 O ATOM 484 CB ALA A 31 62.982 6.492 -10.516 1.00 0.00 C ATOM 0 H ALA A 31 60.971 7.506 -12.679 1.00 0.00 H new ATOM 0 HA ALA A 31 62.743 8.652 -10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.024 6.568 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.347 6.409 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 31 62.852 5.608 -11.141 1.00 0.00 H new ATOM 490 N GLU A 32 64.685 8.264 -12.422 1.00 0.00 N ATOM 491 CA GLU A 32 65.570 8.407 -13.614 1.00 0.00 C ATOM 492 C GLU A 32 65.613 7.094 -14.400 1.00 0.00 C ATOM 493 O GLU A 32 65.179 7.024 -15.533 1.00 0.00 O ATOM 494 CB GLU A 32 66.950 8.737 -13.046 1.00 0.00 C ATOM 495 CG GLU A 32 67.362 10.142 -13.490 1.00 0.00 C ATOM 496 CD GLU A 32 67.871 10.095 -14.932 1.00 0.00 C ATOM 497 OE1 GLU A 32 68.629 9.190 -15.242 1.00 0.00 O ATOM 498 OE2 GLU A 32 67.495 10.964 -15.700 1.00 0.00 O ATOM 0 H GLU A 32 65.118 8.496 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 32 65.218 9.177 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 32 66.930 8.679 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.681 8.006 -13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 32 66.513 10.822 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 68.140 10.529 -12.831 1.00 0.00 H new ATOM 505 N ASP A 33 66.135 6.055 -13.809 1.00 0.00 N ATOM 506 CA ASP A 33 66.207 4.749 -14.524 1.00 0.00 C ATOM 507 C ASP A 33 66.500 3.617 -13.534 1.00 0.00 C ATOM 508 O ASP A 33 67.595 3.095 -13.483 1.00 0.00 O ATOM 509 CB ASP A 33 67.359 4.906 -15.517 1.00 0.00 C ATOM 510 CG ASP A 33 68.672 5.085 -14.751 1.00 0.00 C ATOM 511 OD1 ASP A 33 68.688 5.872 -13.818 1.00 0.00 O ATOM 512 OD2 ASP A 33 69.638 4.433 -15.111 1.00 0.00 O ATOM 0 H ASP A 33 66.515 6.053 -12.862 1.00 0.00 H new ATOM 0 HA ASP A 33 65.270 4.498 -15.022 1.00 0.00 H new ATOM 0 HB2 ASP A 33 67.419 4.030 -16.163 1.00 0.00 H new ATOM 0 HB3 ASP A 33 67.182 5.766 -16.163 1.00 0.00 H new ATOM 517 N GLY A 34 65.529 3.236 -12.749 1.00 0.00 N ATOM 518 CA GLY A 34 65.753 2.138 -11.766 1.00 0.00 C ATOM 519 C GLY A 34 65.909 2.729 -10.364 1.00 0.00 C ATOM 520 O GLY A 34 66.705 2.267 -9.570 1.00 0.00 O ATOM 0 H GLY A 34 64.591 3.637 -12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.915 1.441 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.645 1.572 -12.035 1.00 0.00 H new ATOM 524 N CYS A 35 65.154 3.746 -10.050 1.00 0.00 N ATOM 525 CA CYS A 35 65.261 4.364 -8.697 1.00 0.00 C ATOM 526 C CYS A 35 63.872 4.492 -8.063 1.00 0.00 C ATOM 527 O CYS A 35 62.867 4.498 -8.745 1.00 0.00 O ATOM 528 CB CYS A 35 65.869 5.746 -8.939 1.00 0.00 C ATOM 529 SG CYS A 35 67.597 5.564 -9.448 1.00 0.00 S ATOM 0 H CYS A 35 64.468 4.176 -10.671 1.00 0.00 H new ATOM 0 HA CYS A 35 65.867 3.766 -8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.306 6.273 -9.709 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.807 6.346 -8.031 1.00 0.00 H new ATOM 0 HG CYS A 35 68.114 6.738 -9.655 1.00 0.00 H new ATOM 535 N ILE A 36 63.810 4.594 -6.763 1.00 0.00 N ATOM 536 CA ILE A 36 62.485 4.721 -6.090 1.00 0.00 C ATOM 537 C ILE A 36 62.463 5.961 -5.193 1.00 0.00 C ATOM 538 O ILE A 36 63.492 6.508 -4.847 1.00 0.00 O ATOM 539 CB ILE A 36 62.341 3.450 -5.252 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.415 3.434 -4.162 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.510 2.225 -6.151 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.162 2.261 -3.214 1.00 0.00 C ATOM 0 H ILE A 36 64.617 4.595 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 36 61.669 4.832 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 36 61.354 3.429 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.404 3.345 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.400 4.373 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.407 1.319 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.746 2.236 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.497 2.246 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.927 2.249 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.180 2.370 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.199 1.326 -3.774 1.00 0.00 H new ATOM 554 N SER A 37 61.298 6.409 -4.815 1.00 0.00 N ATOM 555 CA SER A 37 61.209 7.615 -3.941 1.00 0.00 C ATOM 556 C SER A 37 61.416 7.223 -2.475 1.00 0.00 C ATOM 557 O SER A 37 60.932 6.207 -2.020 1.00 0.00 O ATOM 558 CB SER A 37 59.796 8.156 -4.156 1.00 0.00 C ATOM 559 OG SER A 37 59.826 9.157 -5.166 1.00 0.00 O ATOM 0 H SER A 37 60.403 5.993 -5.073 1.00 0.00 H new ATOM 0 HA SER A 37 61.971 8.356 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.125 7.348 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.408 8.572 -3.226 1.00 0.00 H new ATOM 0 HG SER A 37 58.921 9.505 -5.308 1.00 0.00 H new ATOM 565 N THR A 38 62.133 8.023 -1.734 1.00 0.00 N ATOM 566 CA THR A 38 62.370 7.695 -0.299 1.00 0.00 C ATOM 567 C THR A 38 61.060 7.274 0.371 1.00 0.00 C ATOM 568 O THR A 38 61.031 6.374 1.186 1.00 0.00 O ATOM 569 CB THR A 38 62.897 8.990 0.320 1.00 0.00 C ATOM 570 OG1 THR A 38 62.047 10.068 -0.046 1.00 0.00 O ATOM 571 CG2 THR A 38 64.315 9.260 -0.185 1.00 0.00 C ATOM 0 H THR A 38 62.564 8.888 -2.059 1.00 0.00 H new ATOM 0 HA THR A 38 63.070 6.869 -0.174 1.00 0.00 H new ATOM 0 HB THR A 38 62.914 8.893 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.382 10.899 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.689 10.183 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.966 8.433 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.302 9.357 -1.271 1.00 0.00 H new ATOM 579 N LYS A 39 59.975 7.916 0.035 1.00 0.00 N ATOM 580 CA LYS A 39 58.670 7.548 0.653 1.00 0.00 C ATOM 581 C LYS A 39 58.275 6.128 0.240 1.00 0.00 C ATOM 582 O LYS A 39 57.377 5.533 0.803 1.00 0.00 O ATOM 583 CB LYS A 39 57.668 8.564 0.104 1.00 0.00 C ATOM 584 CG LYS A 39 58.154 9.982 0.414 1.00 0.00 C ATOM 585 CD LYS A 39 57.996 10.859 -0.829 1.00 0.00 C ATOM 586 CE LYS A 39 57.616 12.281 -0.406 1.00 0.00 C ATOM 587 NZ LYS A 39 56.163 12.211 -0.090 1.00 0.00 N ATOM 0 H LYS A 39 59.936 8.679 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 39 58.709 7.565 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.556 8.434 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.687 8.399 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.583 10.401 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.198 9.960 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 58.926 10.874 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.229 10.446 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.194 12.603 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.813 12.997 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.656 12.945 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 55.795 11.274 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.021 12.365 0.929 1.00 0.00 H new ATOM 601 N GLU A 40 58.940 5.579 -0.739 1.00 0.00 N ATOM 602 CA GLU A 40 58.604 4.197 -1.189 1.00 0.00 C ATOM 603 C GLU A 40 59.368 3.169 -0.351 1.00 0.00 C ATOM 604 O GLU A 40 58.830 2.156 0.049 1.00 0.00 O ATOM 605 CB GLU A 40 59.050 4.137 -2.650 1.00 0.00 C ATOM 606 CG GLU A 40 58.336 5.231 -3.447 1.00 0.00 C ATOM 607 CD GLU A 40 56.866 4.851 -3.633 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.395 4.003 -2.892 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.236 5.415 -4.512 1.00 0.00 O ATOM 0 H GLU A 40 59.702 6.027 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 40 57.543 3.972 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 40 60.130 4.269 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.822 3.158 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.413 6.185 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.815 5.360 -4.418 1.00 0.00 H new ATOM 616 N LEU A 41 60.620 3.423 -0.080 1.00 0.00 N ATOM 617 CA LEU A 41 61.418 2.462 0.734 1.00 0.00 C ATOM 618 C LEU A 41 60.586 1.955 1.915 1.00 0.00 C ATOM 619 O LEU A 41 60.618 0.788 2.253 1.00 0.00 O ATOM 620 CB LEU A 41 62.618 3.268 1.230 1.00 0.00 C ATOM 621 CG LEU A 41 63.841 2.355 1.331 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.980 3.102 2.026 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.479 1.109 2.142 1.00 0.00 C ATOM 0 H LEU A 41 61.124 4.255 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 41 61.724 1.586 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.822 4.093 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.397 3.707 2.203 1.00 0.00 H new ATOM 0 HG LEU A 41 64.158 2.060 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.851 2.451 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.237 3.991 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 64.664 3.397 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.349 0.457 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.162 1.405 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.667 0.576 1.647 1.00 0.00 H new ATOM 635 N GLY A 42 59.838 2.821 2.542 1.00 0.00 N ATOM 636 CA GLY A 42 59.003 2.383 3.696 1.00 0.00 C ATOM 637 C GLY A 42 58.259 1.100 3.322 1.00 0.00 C ATOM 638 O GLY A 42 58.374 0.089 3.984 1.00 0.00 O ATOM 0 H GLY A 42 59.769 3.811 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.631 2.211 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.292 3.165 3.963 1.00 0.00 H new ATOM 642 N LYS A 43 57.501 1.134 2.260 1.00 0.00 N ATOM 643 CA LYS A 43 56.754 -0.086 1.838 1.00 0.00 C ATOM 644 C LYS A 43 57.739 -1.208 1.499 1.00 0.00 C ATOM 645 O LYS A 43 57.422 -2.377 1.594 1.00 0.00 O ATOM 646 CB LYS A 43 55.974 0.338 0.592 1.00 0.00 C ATOM 647 CG LYS A 43 54.610 0.895 1.007 1.00 0.00 C ATOM 648 CD LYS A 43 54.550 2.390 0.685 1.00 0.00 C ATOM 649 CE LYS A 43 54.463 3.189 1.987 1.00 0.00 C ATOM 650 NZ LYS A 43 55.076 4.508 1.670 1.00 0.00 N ATOM 0 H LYS A 43 57.366 1.953 1.667 1.00 0.00 H new ATOM 0 HA LYS A 43 56.095 -0.462 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.534 1.093 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.843 -0.514 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.814 0.367 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.449 0.735 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.435 2.687 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.685 2.603 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.429 3.302 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.998 2.689 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.008 5.131 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 56.076 4.375 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.573 4.941 0.870 1.00 0.00 H new ATOM 664 N VAL A 44 58.933 -0.858 1.106 1.00 0.00 N ATOM 665 CA VAL A 44 59.943 -1.898 0.760 1.00 0.00 C ATOM 666 C VAL A 44 60.569 -2.468 2.038 1.00 0.00 C ATOM 667 O VAL A 44 61.102 -3.560 2.044 1.00 0.00 O ATOM 668 CB VAL A 44 60.990 -1.162 -0.079 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.289 -1.969 -0.111 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.467 -0.987 -1.506 1.00 0.00 C ATOM 0 H VAL A 44 59.253 0.106 1.009 1.00 0.00 H new ATOM 0 HA VAL A 44 59.510 -2.740 0.220 1.00 0.00 H new ATOM 0 HB VAL A 44 61.183 -0.185 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 44 63.031 -1.441 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.665 -2.094 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.098 -2.948 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 44 61.212 -0.463 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.272 -1.966 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.544 -0.408 -1.487 1.00 0.00 H new ATOM 680 N MET A 45 60.510 -1.736 3.116 1.00 0.00 N ATOM 681 CA MET A 45 61.103 -2.237 4.389 1.00 0.00 C ATOM 682 C MET A 45 60.157 -3.237 5.058 1.00 0.00 C ATOM 683 O MET A 45 60.574 -4.266 5.552 1.00 0.00 O ATOM 684 CB MET A 45 61.276 -0.993 5.263 1.00 0.00 C ATOM 685 CG MET A 45 62.556 -0.258 4.859 1.00 0.00 C ATOM 686 SD MET A 45 63.927 -0.818 5.901 1.00 0.00 S ATOM 687 CE MET A 45 65.059 0.546 5.540 1.00 0.00 C ATOM 0 H MET A 45 60.078 -0.814 3.171 1.00 0.00 H new ATOM 0 HA MET A 45 62.048 -2.756 4.227 1.00 0.00 H new ATOM 0 HB2 MET A 45 60.415 -0.334 5.150 1.00 0.00 H new ATOM 0 HB3 MET A 45 61.324 -1.278 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 45 62.781 -0.448 3.810 1.00 0.00 H new ATOM 0 HG3 MET A 45 62.420 0.818 4.966 1.00 0.00 H new ATOM 0 HE1 MET A 45 65.989 0.402 6.089 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.269 0.571 4.471 1.00 0.00 H new ATOM 0 HE3 MET A 45 64.602 1.488 5.842 1.00 0.00 H new ATOM 697 N ARG A 46 58.885 -2.943 5.078 1.00 0.00 N ATOM 698 CA ARG A 46 57.915 -3.881 5.715 1.00 0.00 C ATOM 699 C ARG A 46 57.709 -5.111 4.828 1.00 0.00 C ATOM 700 O ARG A 46 57.271 -6.150 5.283 1.00 0.00 O ATOM 701 CB ARG A 46 56.616 -3.086 5.837 1.00 0.00 C ATOM 702 CG ARG A 46 56.087 -2.769 4.439 1.00 0.00 C ATOM 703 CD ARG A 46 54.955 -3.737 4.089 1.00 0.00 C ATOM 704 NE ARG A 46 54.134 -3.019 3.075 1.00 0.00 N ATOM 705 CZ ARG A 46 53.006 -3.533 2.665 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.725 -4.780 2.927 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.162 -2.800 1.994 1.00 0.00 N ATOM 0 H ARG A 46 58.476 -2.097 4.682 1.00 0.00 H new ATOM 0 HA ARG A 46 58.265 -4.241 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 46 55.877 -3.658 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 46 56.791 -2.163 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 46 55.726 -1.741 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 46 56.890 -2.853 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.345 -4.673 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.364 -3.988 4.970 1.00 0.00 H new ATOM 0 HE ARG A 46 54.453 -2.125 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.386 -5.352 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 46 51.844 -5.182 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 46 52.383 -1.825 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 46 51.281 -3.201 1.673 1.00 0.00 H new ATOM 721 N MET A 47 58.022 -5.003 3.566 1.00 0.00 N ATOM 722 CA MET A 47 57.844 -6.167 2.650 1.00 0.00 C ATOM 723 C MET A 47 58.908 -7.230 2.935 1.00 0.00 C ATOM 724 O MET A 47 58.783 -8.370 2.535 1.00 0.00 O ATOM 725 CB MET A 47 58.020 -5.593 1.244 1.00 0.00 C ATOM 726 CG MET A 47 56.649 -5.440 0.582 1.00 0.00 C ATOM 727 SD MET A 47 56.709 -4.092 -0.624 1.00 0.00 S ATOM 728 CE MET A 47 56.793 -5.120 -2.111 1.00 0.00 C ATOM 0 H MET A 47 58.393 -4.160 3.129 1.00 0.00 H new ATOM 0 HA MET A 47 56.874 -6.648 2.775 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.522 -4.627 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.653 -6.250 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.365 -6.370 0.090 1.00 0.00 H new ATOM 0 HG3 MET A 47 55.890 -5.234 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 47 56.402 -4.562 -2.962 1.00 0.00 H new ATOM 0 HE2 MET A 47 57.829 -5.397 -2.304 1.00 0.00 H new ATOM 0 HE3 MET A 47 56.198 -6.022 -1.964 1.00 0.00 H new ATOM 738 N LEU A 48 59.952 -6.866 3.628 1.00 0.00 N ATOM 739 CA LEU A 48 61.021 -7.856 3.942 1.00 0.00 C ATOM 740 C LEU A 48 61.067 -8.125 5.448 1.00 0.00 C ATOM 741 O LEU A 48 61.642 -9.096 5.899 1.00 0.00 O ATOM 742 CB LEU A 48 62.320 -7.197 3.474 1.00 0.00 C ATOM 743 CG LEU A 48 62.645 -7.664 2.054 1.00 0.00 C ATOM 744 CD1 LEU A 48 62.227 -6.586 1.053 1.00 0.00 C ATOM 745 CD2 LEU A 48 64.151 -7.914 1.933 1.00 0.00 C ATOM 0 H LEU A 48 60.111 -5.926 3.990 1.00 0.00 H new ATOM 0 HA LEU A 48 60.852 -8.816 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.219 -6.112 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.136 -7.456 4.149 1.00 0.00 H new ATOM 0 HG LEU A 48 62.103 -8.586 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 48 62.459 -6.919 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 48 61.155 -6.405 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 62.768 -5.664 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.384 -8.247 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.691 -6.991 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.451 -8.682 2.646 1.00 0.00 H new ATOM 757 N GLY A 49 60.465 -7.271 6.231 1.00 0.00 N ATOM 758 CA GLY A 49 60.474 -7.477 7.707 1.00 0.00 C ATOM 759 C GLY A 49 60.932 -6.194 8.402 1.00 0.00 C ATOM 760 O GLY A 49 60.283 -5.701 9.304 1.00 0.00 O ATOM 0 H GLY A 49 59.967 -6.440 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.478 -7.753 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.140 -8.300 7.965 1.00 0.00 H new ATOM 764 N GLN A 50 62.042 -5.649 7.990 1.00 0.00 N ATOM 765 CA GLN A 50 62.540 -4.397 8.629 1.00 0.00 C ATOM 766 C GLN A 50 61.387 -3.411 8.829 1.00 0.00 C ATOM 767 O GLN A 50 60.628 -3.135 7.922 1.00 0.00 O ATOM 768 CB GLN A 50 63.566 -3.831 7.647 1.00 0.00 C ATOM 769 CG GLN A 50 64.976 -4.061 8.194 1.00 0.00 C ATOM 770 CD GLN A 50 65.415 -5.494 7.890 1.00 0.00 C ATOM 771 OE1 GLN A 50 65.590 -5.860 6.650 1.00 0.00 O flip ATOM 772 NE2 GLN A 50 65.599 -6.290 8.789 1.00 0.00 N flip ATOM 0 H GLN A 50 62.627 -6.015 7.239 1.00 0.00 H new ATOM 0 HA GLN A 50 62.975 -4.580 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 50 63.459 -4.312 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.392 -2.766 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 50 65.672 -3.353 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.993 -3.885 9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 50 65.462 -6.005 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 50 65.890 -7.244 8.574 1.00 0.00 H new ATOM 781 N ASN A 51 61.250 -2.878 10.012 1.00 0.00 N ATOM 782 CA ASN A 51 60.146 -1.910 10.272 1.00 0.00 C ATOM 783 C ASN A 51 60.664 -0.729 11.098 1.00 0.00 C ATOM 784 O ASN A 51 60.278 -0.550 12.235 1.00 0.00 O ATOM 785 CB ASN A 51 59.104 -2.701 11.063 1.00 0.00 C ATOM 786 CG ASN A 51 58.029 -3.226 10.109 1.00 0.00 C ATOM 787 OD1 ASN A 51 57.332 -2.457 9.478 1.00 0.00 O ATOM 788 ND2 ASN A 51 57.863 -4.514 9.978 1.00 0.00 N ATOM 0 H ASN A 51 61.855 -3.071 10.810 1.00 0.00 H new ATOM 0 HA ASN A 51 59.732 -1.498 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 51 59.581 -3.532 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.651 -2.066 11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 51 57.148 -4.874 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 51 58.448 -5.160 10.508 1.00 0.00 H new ATOM 795 N PRO A 52 61.527 0.040 10.491 1.00 0.00 N ATOM 796 CA PRO A 52 62.110 1.219 11.175 1.00 0.00 C ATOM 797 C PRO A 52 61.072 2.341 11.284 1.00 0.00 C ATOM 798 O PRO A 52 59.896 2.133 11.063 1.00 0.00 O ATOM 799 CB PRO A 52 63.262 1.629 10.262 1.00 0.00 C ATOM 800 CG PRO A 52 62.892 1.107 8.911 1.00 0.00 C ATOM 801 CD PRO A 52 62.036 -0.116 9.124 1.00 0.00 C ATOM 0 HA PRO A 52 62.435 1.007 12.194 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.386 2.712 10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.206 1.205 10.604 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.349 1.862 8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.785 0.857 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.224 -0.166 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.616 -1.033 9.016 1.00 0.00 H new ATOM 809 N THR A 53 61.498 3.526 11.627 1.00 0.00 N ATOM 810 CA THR A 53 60.533 4.656 11.754 1.00 0.00 C ATOM 811 C THR A 53 60.809 5.715 10.682 1.00 0.00 C ATOM 812 O THR A 53 61.881 5.758 10.112 1.00 0.00 O ATOM 813 CB THR A 53 60.777 5.230 13.150 1.00 0.00 C ATOM 814 OG1 THR A 53 62.176 5.309 13.389 1.00 0.00 O ATOM 815 CG2 THR A 53 60.129 4.324 14.197 1.00 0.00 C ATOM 0 H THR A 53 62.471 3.761 11.825 1.00 0.00 H new ATOM 0 HA THR A 53 59.501 4.333 11.620 1.00 0.00 H new ATOM 0 HB THR A 53 60.340 6.226 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.335 5.696 14.275 1.00 0.00 H new ATOM 0 HG21 THR A 53 60.304 4.734 15.192 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.056 4.264 14.013 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.564 3.327 14.134 1.00 0.00 H new ATOM 823 N PRO A 54 59.824 6.538 10.449 1.00 0.00 N ATOM 824 CA PRO A 54 59.951 7.614 9.437 1.00 0.00 C ATOM 825 C PRO A 54 60.859 8.734 9.957 1.00 0.00 C ATOM 826 O PRO A 54 61.429 9.488 9.193 1.00 0.00 O ATOM 827 CB PRO A 54 58.519 8.114 9.264 1.00 0.00 C ATOM 828 CG PRO A 54 57.829 7.766 10.545 1.00 0.00 C ATOM 829 CD PRO A 54 58.509 6.540 11.098 1.00 0.00 C ATOM 0 HA PRO A 54 60.395 7.272 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.496 9.189 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.034 7.636 8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.891 8.593 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.770 7.574 10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.600 6.590 12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.949 5.634 10.866 1.00 0.00 H new ATOM 837 N GLU A 55 60.996 8.847 11.250 1.00 0.00 N ATOM 838 CA GLU A 55 61.866 9.919 11.815 1.00 0.00 C ATOM 839 C GLU A 55 63.342 9.584 11.582 1.00 0.00 C ATOM 840 O GLU A 55 64.139 10.443 11.264 1.00 0.00 O ATOM 841 CB GLU A 55 61.549 9.935 13.312 1.00 0.00 C ATOM 842 CG GLU A 55 61.254 11.369 13.756 1.00 0.00 C ATOM 843 CD GLU A 55 60.092 11.365 14.751 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.025 10.446 15.551 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.288 12.282 14.696 1.00 0.00 O ATOM 0 H GLU A 55 60.545 8.245 11.939 1.00 0.00 H new ATOM 0 HA GLU A 55 61.685 10.887 11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.691 9.295 13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.390 9.534 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.139 11.808 14.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.005 11.985 12.892 1.00 0.00 H new ATOM 852 N GLU A 56 63.711 8.342 11.737 1.00 0.00 N ATOM 853 CA GLU A 56 65.135 7.955 11.524 1.00 0.00 C ATOM 854 C GLU A 56 65.408 7.734 10.034 1.00 0.00 C ATOM 855 O GLU A 56 66.533 7.813 9.580 1.00 0.00 O ATOM 856 CB GLU A 56 65.312 6.650 12.300 1.00 0.00 C ATOM 857 CG GLU A 56 65.829 6.959 13.708 1.00 0.00 C ATOM 858 CD GLU A 56 65.298 5.911 14.687 1.00 0.00 C ATOM 859 OE1 GLU A 56 65.883 4.843 14.758 1.00 0.00 O ATOM 860 OE2 GLU A 56 64.315 6.195 15.352 1.00 0.00 O ATOM 0 H GLU A 56 63.089 7.579 12.002 1.00 0.00 H new ATOM 0 HA GLU A 56 65.826 8.727 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.363 6.118 12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.012 5.997 11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.919 6.959 13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.508 7.954 14.015 1.00 0.00 H new ATOM 867 N LEU A 57 64.388 7.459 9.267 1.00 0.00 N ATOM 868 CA LEU A 57 64.591 7.233 7.807 1.00 0.00 C ATOM 869 C LEU A 57 65.119 8.508 7.143 1.00 0.00 C ATOM 870 O LEU A 57 66.263 8.583 6.743 1.00 0.00 O ATOM 871 CB LEU A 57 63.205 6.880 7.265 1.00 0.00 C ATOM 872 CG LEU A 57 63.303 5.632 6.387 1.00 0.00 C ATOM 873 CD1 LEU A 57 63.770 4.448 7.235 1.00 0.00 C ATOM 874 CD2 LEU A 57 61.929 5.320 5.791 1.00 0.00 C ATOM 0 H LEU A 57 63.423 7.381 9.588 1.00 0.00 H new ATOM 0 HA LEU A 57 65.319 6.447 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.514 6.704 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 62.806 7.714 6.687 1.00 0.00 H new ATOM 0 HG LEU A 57 64.018 5.808 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 57 63.840 3.558 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 57 64.748 4.670 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 57 63.055 4.272 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 61.998 4.430 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 57 61.215 5.143 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 57 61.594 6.164 5.187 1.00 0.00 H new ATOM 886 N GLN A 58 64.292 9.510 7.021 1.00 0.00 N ATOM 887 CA GLN A 58 64.744 10.779 6.381 1.00 0.00 C ATOM 888 C GLN A 58 66.138 11.165 6.890 1.00 0.00 C ATOM 889 O GLN A 58 67.012 11.517 6.124 1.00 0.00 O ATOM 890 CB GLN A 58 63.712 11.824 6.807 1.00 0.00 C ATOM 891 CG GLN A 58 62.511 11.772 5.862 1.00 0.00 C ATOM 892 CD GLN A 58 62.612 12.911 4.846 1.00 0.00 C ATOM 893 OE1 GLN A 58 63.788 13.353 4.492 1.00 0.00 O flip ATOM 894 NE2 GLN A 58 61.609 13.407 4.369 1.00 0.00 N flip ATOM 0 H GLN A 58 63.322 9.505 7.337 1.00 0.00 H new ATOM 0 HA GLN A 58 64.816 10.691 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.390 11.636 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.158 12.818 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.482 10.812 5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.584 11.858 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 58 60.689 13.063 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 58 61.688 14.167 3.693 1.00 0.00 H new ATOM 903 N GLU A 59 66.347 11.103 8.176 1.00 0.00 N ATOM 904 CA GLU A 59 67.681 11.471 8.734 1.00 0.00 C ATOM 905 C GLU A 59 68.796 10.735 7.984 1.00 0.00 C ATOM 906 O GLU A 59 69.817 11.306 7.660 1.00 0.00 O ATOM 907 CB GLU A 59 67.633 11.022 10.196 1.00 0.00 C ATOM 908 CG GLU A 59 68.792 11.661 10.964 1.00 0.00 C ATOM 909 CD GLU A 59 68.651 13.184 10.930 1.00 0.00 C ATOM 910 OE1 GLU A 59 69.111 13.781 9.971 1.00 0.00 O ATOM 911 OE2 GLU A 59 68.085 13.728 11.864 1.00 0.00 O ATOM 0 H GLU A 59 65.653 10.814 8.865 1.00 0.00 H new ATOM 0 HA GLU A 59 67.887 12.537 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.682 11.310 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.698 9.936 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 68.796 11.309 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 59 69.743 11.364 10.522 1.00 0.00 H new ATOM 918 N MET A 60 68.610 9.473 7.711 1.00 0.00 N ATOM 919 CA MET A 60 69.666 8.705 6.988 1.00 0.00 C ATOM 920 C MET A 60 69.634 9.034 5.491 1.00 0.00 C ATOM 921 O MET A 60 70.660 9.211 4.864 1.00 0.00 O ATOM 922 CB MET A 60 69.317 7.236 7.223 1.00 0.00 C ATOM 923 CG MET A 60 70.397 6.347 6.600 1.00 0.00 C ATOM 924 SD MET A 60 70.843 5.034 7.764 1.00 0.00 S ATOM 925 CE MET A 60 69.160 4.501 8.161 1.00 0.00 C ATOM 0 H MET A 60 67.775 8.940 7.956 1.00 0.00 H new ATOM 0 HA MET A 60 70.668 8.948 7.342 1.00 0.00 H new ATOM 0 HB2 MET A 60 69.239 7.036 8.292 1.00 0.00 H new ATOM 0 HB3 MET A 60 68.346 7.008 6.784 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.034 5.914 5.668 1.00 0.00 H new ATOM 0 HG3 MET A 60 71.276 6.943 6.353 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.157 3.431 8.371 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.803 5.044 9.036 1.00 0.00 H new ATOM 0 HE3 MET A 60 68.504 4.706 7.315 1.00 0.00 H new ATOM 935 N ILE A 61 68.467 9.114 4.914 1.00 0.00 N ATOM 936 CA ILE A 61 68.373 9.426 3.458 1.00 0.00 C ATOM 937 C ILE A 61 68.944 10.818 3.171 1.00 0.00 C ATOM 938 O ILE A 61 69.510 11.064 2.125 1.00 0.00 O ATOM 939 CB ILE A 61 66.878 9.387 3.143 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.369 7.949 3.261 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.645 9.895 1.720 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.942 7.954 3.811 1.00 0.00 C ATOM 0 H ILE A 61 67.574 8.977 5.387 1.00 0.00 H new ATOM 0 HA ILE A 61 68.940 8.721 2.849 1.00 0.00 H new ATOM 0 HB ILE A 61 66.341 10.021 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.392 7.463 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 61 67.021 7.374 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.579 9.868 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.008 10.919 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.182 9.261 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.581 6.929 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.933 8.423 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.294 8.513 3.136 1.00 0.00 H new ATOM 954 N ASP A 62 68.794 11.732 4.087 1.00 0.00 N ATOM 955 CA ASP A 62 69.321 13.111 3.863 1.00 0.00 C ATOM 956 C ASP A 62 70.777 13.065 3.386 1.00 0.00 C ATOM 957 O ASP A 62 71.123 13.628 2.366 1.00 0.00 O ATOM 958 CB ASP A 62 69.225 13.796 5.227 1.00 0.00 C ATOM 959 CG ASP A 62 67.832 14.405 5.394 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.314 14.926 4.421 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.307 14.338 6.494 1.00 0.00 O ATOM 0 H ASP A 62 68.329 11.586 4.983 1.00 0.00 H new ATOM 0 HA ASP A 62 68.759 13.643 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 62 69.416 13.075 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.986 14.572 5.310 1.00 0.00 H new ATOM 966 N GLU A 63 71.636 12.407 4.117 1.00 0.00 N ATOM 967 CA GLU A 63 73.069 12.338 3.702 1.00 0.00 C ATOM 968 C GLU A 63 73.286 11.195 2.706 1.00 0.00 C ATOM 969 O GLU A 63 74.335 11.075 2.106 1.00 0.00 O ATOM 970 CB GLU A 63 73.843 12.076 4.994 1.00 0.00 C ATOM 971 CG GLU A 63 73.452 10.706 5.553 1.00 0.00 C ATOM 972 CD GLU A 63 74.621 9.733 5.381 1.00 0.00 C ATOM 973 OE1 GLU A 63 75.263 9.786 4.345 1.00 0.00 O ATOM 974 OE2 GLU A 63 74.853 8.951 6.289 1.00 0.00 O ATOM 0 H GLU A 63 71.409 11.915 4.981 1.00 0.00 H new ATOM 0 HA GLU A 63 73.396 13.252 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 63 74.915 12.110 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 63 73.626 12.855 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 63 73.189 10.793 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.571 10.328 5.035 1.00 0.00 H new ATOM 981 N VAL A 64 72.305 10.356 2.528 1.00 0.00 N ATOM 982 CA VAL A 64 72.459 9.220 1.573 1.00 0.00 C ATOM 983 C VAL A 64 71.862 9.585 0.211 1.00 0.00 C ATOM 984 O VAL A 64 72.372 9.202 -0.825 1.00 0.00 O ATOM 985 CB VAL A 64 71.676 8.071 2.205 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.434 6.982 1.160 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.479 7.493 3.372 1.00 0.00 C ATOM 0 H VAL A 64 71.403 10.406 3.001 1.00 0.00 H new ATOM 0 HA VAL A 64 73.504 8.963 1.402 1.00 0.00 H new ATOM 0 HB VAL A 64 70.717 8.439 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.875 6.162 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.863 7.396 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.391 6.610 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.923 6.673 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.437 7.124 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.650 8.271 4.117 1.00 0.00 H new ATOM 997 N ASP A 65 70.784 10.317 0.205 1.00 0.00 N ATOM 998 CA ASP A 65 70.144 10.704 -1.086 1.00 0.00 C ATOM 999 C ASP A 65 70.801 11.964 -1.662 1.00 0.00 C ATOM 1000 O ASP A 65 70.173 12.736 -2.361 1.00 0.00 O ATOM 1001 CB ASP A 65 68.679 10.971 -0.731 1.00 0.00 C ATOM 1002 CG ASP A 65 68.558 12.324 -0.023 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.569 12.814 0.452 1.00 0.00 O ATOM 1004 OD2 ASP A 65 67.457 12.846 0.030 1.00 0.00 O ATOM 0 H ASP A 65 70.316 10.666 1.041 1.00 0.00 H new ATOM 0 HA ASP A 65 70.249 9.929 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.069 10.967 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.300 10.177 -0.087 1.00 0.00 H new ATOM 1009 N GLU A 66 72.057 12.182 -1.379 1.00 0.00 N ATOM 1010 CA GLU A 66 72.742 13.394 -1.916 1.00 0.00 C ATOM 1011 C GLU A 66 73.144 13.174 -3.378 1.00 0.00 C ATOM 1012 O GLU A 66 74.275 13.397 -3.760 1.00 0.00 O ATOM 1013 CB GLU A 66 73.981 13.570 -1.037 1.00 0.00 C ATOM 1014 CG GLU A 66 75.027 12.512 -1.404 1.00 0.00 C ATOM 1015 CD GLU A 66 76.269 13.198 -1.976 1.00 0.00 C ATOM 1016 OE1 GLU A 66 76.935 13.894 -1.227 1.00 0.00 O ATOM 1017 OE2 GLU A 66 76.534 13.015 -3.152 1.00 0.00 O ATOM 0 H GLU A 66 72.638 11.575 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 66 72.100 14.274 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 66 74.396 14.569 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.709 13.478 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.294 11.929 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.615 11.816 -2.134 1.00 0.00 H new ATOM 1024 N ASP A 67 72.227 12.736 -4.199 1.00 0.00 N ATOM 1025 CA ASP A 67 72.564 12.505 -5.633 1.00 0.00 C ATOM 1026 C ASP A 67 71.334 12.741 -6.515 1.00 0.00 C ATOM 1027 O ASP A 67 71.311 12.371 -7.673 1.00 0.00 O ATOM 1028 CB ASP A 67 73.001 11.041 -5.706 1.00 0.00 C ATOM 1029 CG ASP A 67 74.172 10.807 -4.749 1.00 0.00 C ATOM 1030 OD1 ASP A 67 75.152 11.525 -4.857 1.00 0.00 O ATOM 1031 OD2 ASP A 67 74.068 9.912 -3.926 1.00 0.00 O ATOM 0 H ASP A 67 71.263 12.529 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 67 73.341 13.183 -5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.168 10.389 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 67 73.295 10.789 -6.725 1.00 0.00 H new ATOM 1036 N GLY A 68 70.314 13.354 -5.980 1.00 0.00 N ATOM 1037 CA GLY A 68 69.090 13.610 -6.794 1.00 0.00 C ATOM 1038 C GLY A 68 68.117 14.481 -5.998 1.00 0.00 C ATOM 1039 O GLY A 68 68.250 15.688 -5.945 1.00 0.00 O ATOM 0 H GLY A 68 70.274 13.688 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 68 69.359 14.106 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.614 12.666 -7.061 1.00 0.00 H new ATOM 1043 N SER A 69 67.136 13.881 -5.381 1.00 0.00 N ATOM 1044 CA SER A 69 66.153 14.676 -4.592 1.00 0.00 C ATOM 1045 C SER A 69 65.142 13.749 -3.912 1.00 0.00 C ATOM 1046 O SER A 69 63.966 13.764 -4.220 1.00 0.00 O ATOM 1047 CB SER A 69 65.456 15.570 -5.617 1.00 0.00 C ATOM 1048 OG SER A 69 65.169 14.809 -6.783 1.00 0.00 O ATOM 0 H SER A 69 66.973 12.874 -5.389 1.00 0.00 H new ATOM 0 HA SER A 69 66.631 15.255 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 69 64.535 15.975 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.092 16.418 -5.869 1.00 0.00 H new ATOM 0 HG SER A 69 64.720 15.378 -7.443 1.00 0.00 H new ATOM 1054 N GLY A 70 65.589 12.941 -2.990 1.00 0.00 N ATOM 1055 CA GLY A 70 64.652 12.014 -2.293 1.00 0.00 C ATOM 1056 C GLY A 70 64.460 10.752 -3.137 1.00 0.00 C ATOM 1057 O GLY A 70 63.370 10.222 -3.238 1.00 0.00 O ATOM 0 H GLY A 70 66.562 12.882 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.047 11.751 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.692 12.505 -2.130 1.00 0.00 H new ATOM 1061 N THR A 71 65.507 10.266 -3.744 1.00 0.00 N ATOM 1062 CA THR A 71 65.383 9.037 -4.580 1.00 0.00 C ATOM 1063 C THR A 71 66.620 8.151 -4.402 1.00 0.00 C ATOM 1064 O THR A 71 67.741 8.611 -4.485 1.00 0.00 O ATOM 1065 CB THR A 71 65.287 9.544 -6.019 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.440 10.317 -6.326 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.035 10.408 -6.176 1.00 0.00 C ATOM 0 H THR A 71 66.444 10.666 -3.698 1.00 0.00 H new ATOM 0 HA THR A 71 64.518 8.434 -4.304 1.00 0.00 H new ATOM 0 HB THR A 71 65.227 8.695 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.175 10.059 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.968 10.769 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.151 9.814 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.092 11.258 -5.496 1.00 0.00 H new ATOM 1075 N VAL A 72 66.423 6.884 -4.158 1.00 0.00 N ATOM 1076 CA VAL A 72 67.591 5.971 -3.973 1.00 0.00 C ATOM 1077 C VAL A 72 67.730 5.014 -5.156 1.00 0.00 C ATOM 1078 O VAL A 72 66.769 4.683 -5.821 1.00 0.00 O ATOM 1079 CB VAL A 72 67.310 5.174 -2.695 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.724 6.002 -1.483 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.819 4.833 -2.596 1.00 0.00 C ATOM 0 H VAL A 72 65.508 6.441 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 72 68.519 6.539 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 72 67.882 4.246 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.525 5.438 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.788 6.230 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.155 6.931 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.635 4.267 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.236 5.754 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.524 4.236 -3.459 1.00 0.00 H new ATOM 1091 N ASP A 73 68.923 4.555 -5.406 1.00 0.00 N ATOM 1092 CA ASP A 73 69.141 3.600 -6.527 1.00 0.00 C ATOM 1093 C ASP A 73 69.454 2.218 -5.954 1.00 0.00 C ATOM 1094 O ASP A 73 69.534 2.042 -4.753 1.00 0.00 O ATOM 1095 CB ASP A 73 70.345 4.151 -7.295 1.00 0.00 C ATOM 1096 CG ASP A 73 70.051 5.580 -7.756 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.217 6.222 -7.140 1.00 0.00 O ATOM 1098 OD2 ASP A 73 70.668 6.009 -8.718 1.00 0.00 O ATOM 0 H ASP A 73 69.761 4.801 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 73 68.269 3.500 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 73 71.231 4.138 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 73 70.561 3.518 -8.156 1.00 0.00 H new ATOM 1103 N PHE A 74 69.635 1.235 -6.788 1.00 0.00 N ATOM 1104 CA PHE A 74 69.943 -0.125 -6.262 1.00 0.00 C ATOM 1105 C PHE A 74 71.226 -0.083 -5.429 1.00 0.00 C ATOM 1106 O PHE A 74 71.524 -0.995 -4.683 1.00 0.00 O ATOM 1107 CB PHE A 74 70.131 -0.998 -7.503 1.00 0.00 C ATOM 1108 CG PHE A 74 70.213 -2.449 -7.091 1.00 0.00 C ATOM 1109 CD1 PHE A 74 69.270 -2.979 -6.203 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.232 -3.264 -7.600 1.00 0.00 C ATOM 1111 CE1 PHE A 74 69.346 -4.324 -5.822 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.309 -4.608 -7.219 1.00 0.00 C ATOM 1113 CZ PHE A 74 70.366 -5.138 -6.330 1.00 0.00 C ATOM 0 H PHE A 74 69.584 1.311 -7.804 1.00 0.00 H new ATOM 0 HA PHE A 74 69.155 -0.510 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.300 -0.851 -8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.039 -0.707 -8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.484 -2.350 -5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 74 71.958 -2.855 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 74 68.619 -4.734 -5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 74 72.095 -5.236 -7.610 1.00 0.00 H new ATOM 0 HZ PHE A 74 70.425 -6.175 -6.036 1.00 0.00 H new ATOM 1123 N ASP A 75 71.986 0.971 -5.548 1.00 0.00 N ATOM 1124 CA ASP A 75 73.248 1.074 -4.761 1.00 0.00 C ATOM 1125 C ASP A 75 72.968 1.687 -3.385 1.00 0.00 C ATOM 1126 O ASP A 75 73.547 1.292 -2.392 1.00 0.00 O ATOM 1127 CB ASP A 75 74.154 1.992 -5.584 1.00 0.00 C ATOM 1128 CG ASP A 75 75.445 2.265 -4.808 1.00 0.00 C ATOM 1129 OD1 ASP A 75 75.623 1.660 -3.763 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.231 3.074 -5.272 1.00 0.00 O ATOM 0 H ASP A 75 71.788 1.766 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 75 73.705 0.100 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.385 1.528 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 75 73.641 2.929 -5.799 1.00 0.00 H new ATOM 1135 N GLU A 76 72.088 2.650 -3.316 1.00 0.00 N ATOM 1136 CA GLU A 76 71.780 3.285 -2.002 1.00 0.00 C ATOM 1137 C GLU A 76 70.744 2.457 -1.240 1.00 0.00 C ATOM 1138 O GLU A 76 70.924 2.132 -0.084 1.00 0.00 O ATOM 1139 CB GLU A 76 71.212 4.661 -2.350 1.00 0.00 C ATOM 1140 CG GLU A 76 72.174 5.385 -3.293 1.00 0.00 C ATOM 1141 CD GLU A 76 73.584 5.356 -2.702 1.00 0.00 C ATOM 1142 OE1 GLU A 76 73.707 5.565 -1.506 1.00 0.00 O ATOM 1143 OE2 GLU A 76 74.517 5.126 -3.454 1.00 0.00 O ATOM 0 H GLU A 76 71.570 3.024 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 76 72.661 3.355 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.235 4.555 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.066 5.246 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.169 4.907 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 71.850 6.416 -3.439 1.00 0.00 H new ATOM 1150 N PHE A 77 69.657 2.116 -1.876 1.00 0.00 N ATOM 1151 CA PHE A 77 68.612 1.314 -1.181 1.00 0.00 C ATOM 1152 C PHE A 77 69.254 0.153 -0.417 1.00 0.00 C ATOM 1153 O PHE A 77 68.956 -0.078 0.737 1.00 0.00 O ATOM 1154 CB PHE A 77 67.707 0.790 -2.296 1.00 0.00 C ATOM 1155 CG PHE A 77 66.795 -0.277 -1.742 1.00 0.00 C ATOM 1156 CD1 PHE A 77 65.987 0.000 -0.633 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.756 -1.544 -2.338 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.141 -0.991 -0.119 1.00 0.00 C ATOM 1159 CE2 PHE A 77 65.912 -2.534 -1.824 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.103 -2.257 -0.715 1.00 0.00 C ATOM 0 H PHE A 77 69.448 2.358 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 77 68.058 1.904 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.118 1.606 -2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.310 0.383 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.016 0.977 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.378 -1.757 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 77 64.518 -0.778 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 77 65.884 -3.512 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.450 -3.020 -0.319 1.00 0.00 H new ATOM 1170 N LEU A 78 70.134 -0.576 -1.047 1.00 0.00 N ATOM 1171 CA LEU A 78 70.789 -1.713 -0.348 1.00 0.00 C ATOM 1172 C LEU A 78 71.663 -1.177 0.793 1.00 0.00 C ATOM 1173 O LEU A 78 71.652 -1.697 1.892 1.00 0.00 O ATOM 1174 CB LEU A 78 71.622 -2.403 -1.440 1.00 0.00 C ATOM 1175 CG LEU A 78 72.930 -2.942 -0.859 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.624 -3.878 0.310 1.00 0.00 C ATOM 1177 CD2 LEU A 78 73.692 -3.709 -1.943 1.00 0.00 C ATOM 0 H LEU A 78 70.426 -0.432 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 78 70.086 -2.410 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 78 71.050 -3.219 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 78 71.838 -1.696 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 78 73.540 -2.110 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 78 73.557 -4.261 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.083 -3.331 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 72.013 -4.710 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 78 74.624 -4.093 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.082 -4.540 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 78 73.913 -3.040 -2.775 1.00 0.00 H new ATOM 1189 N VAL A 79 72.412 -0.137 0.543 1.00 0.00 N ATOM 1190 CA VAL A 79 73.273 0.431 1.619 1.00 0.00 C ATOM 1191 C VAL A 79 72.430 0.704 2.865 1.00 0.00 C ATOM 1192 O VAL A 79 72.784 0.329 3.964 1.00 0.00 O ATOM 1193 CB VAL A 79 73.817 1.738 1.047 1.00 0.00 C ATOM 1194 CG1 VAL A 79 74.595 2.485 2.133 1.00 0.00 C ATOM 1195 CG2 VAL A 79 74.749 1.430 -0.126 1.00 0.00 C ATOM 0 H VAL A 79 72.465 0.342 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 79 74.075 -0.247 1.911 1.00 0.00 H new ATOM 0 HB VAL A 79 72.989 2.357 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 79 74.984 3.418 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 79 73.932 2.703 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.424 1.866 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.138 2.362 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.577 0.812 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.196 0.897 -0.899 1.00 0.00 H new ATOM 1205 N MET A 80 71.312 1.354 2.697 1.00 0.00 N ATOM 1206 CA MET A 80 70.440 1.650 3.867 1.00 0.00 C ATOM 1207 C MET A 80 70.075 0.348 4.585 1.00 0.00 C ATOM 1208 O MET A 80 70.018 0.290 5.797 1.00 0.00 O ATOM 1209 CB MET A 80 69.192 2.307 3.274 1.00 0.00 C ATOM 1210 CG MET A 80 69.293 3.825 3.435 1.00 0.00 C ATOM 1211 SD MET A 80 67.651 4.562 3.258 1.00 0.00 S ATOM 1212 CE MET A 80 67.859 5.171 1.568 1.00 0.00 C ATOM 0 H MET A 80 70.965 1.693 1.800 1.00 0.00 H new ATOM 0 HA MET A 80 70.927 2.294 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.097 2.047 2.220 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.298 1.935 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 80 69.710 4.071 4.412 1.00 0.00 H new ATOM 0 HG3 MET A 80 69.970 4.236 2.687 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.895 5.495 1.177 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.552 6.012 1.567 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.255 4.373 0.940 1.00 0.00 H new ATOM 1222 N MET A 81 69.832 -0.697 3.842 1.00 0.00 N ATOM 1223 CA MET A 81 69.474 -1.999 4.476 1.00 0.00 C ATOM 1224 C MET A 81 70.734 -2.700 4.994 1.00 0.00 C ATOM 1225 O MET A 81 70.723 -3.324 6.037 1.00 0.00 O ATOM 1226 CB MET A 81 68.826 -2.818 3.359 1.00 0.00 C ATOM 1227 CG MET A 81 67.646 -2.039 2.772 1.00 0.00 C ATOM 1228 SD MET A 81 66.299 -3.182 2.379 1.00 0.00 S ATOM 1229 CE MET A 81 65.933 -3.698 4.074 1.00 0.00 C ATOM 0 H MET A 81 69.866 -0.706 2.823 1.00 0.00 H new ATOM 0 HA MET A 81 68.807 -1.873 5.329 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.557 -3.032 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.485 -3.777 3.748 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.303 -1.288 3.484 1.00 0.00 H new ATOM 0 HG3 MET A 81 67.959 -1.507 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 81 64.855 -3.798 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 81 66.412 -4.657 4.274 1.00 0.00 H new ATOM 0 HE3 MET A 81 66.312 -2.951 4.772 1.00 0.00 H new ATOM 1239 N VAL A 82 71.820 -2.605 4.274 1.00 0.00 N ATOM 1240 CA VAL A 82 73.075 -3.269 4.733 1.00 0.00 C ATOM 1241 C VAL A 82 73.561 -2.624 6.039 1.00 0.00 C ATOM 1242 O VAL A 82 74.404 -3.158 6.731 1.00 0.00 O ATOM 1243 CB VAL A 82 74.080 -3.061 3.587 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.898 -1.783 3.807 1.00 0.00 C ATOM 1245 CG2 VAL A 82 75.029 -4.262 3.520 1.00 0.00 C ATOM 0 H VAL A 82 71.893 -2.099 3.392 1.00 0.00 H new ATOM 0 HA VAL A 82 72.939 -4.329 4.947 1.00 0.00 H new ATOM 0 HB VAL A 82 73.527 -2.966 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.602 -1.656 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.228 -0.924 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 82 75.446 -1.859 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.742 -4.117 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 82 75.567 -4.354 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.454 -5.170 3.340 1.00 0.00 H new ATOM 1255 N ARG A 83 73.028 -1.481 6.378 1.00 0.00 N ATOM 1256 CA ARG A 83 73.453 -0.801 7.635 1.00 0.00 C ATOM 1257 C ARG A 83 72.446 -1.090 8.753 1.00 0.00 C ATOM 1258 O ARG A 83 72.807 -1.234 9.904 1.00 0.00 O ATOM 1259 CB ARG A 83 73.465 0.691 7.297 1.00 0.00 C ATOM 1260 CG ARG A 83 73.903 1.491 8.525 1.00 0.00 C ATOM 1261 CD ARG A 83 74.989 2.493 8.124 1.00 0.00 C ATOM 1262 NE ARG A 83 74.529 3.800 8.670 1.00 0.00 N ATOM 1263 CZ ARG A 83 74.527 4.860 7.908 1.00 0.00 C ATOM 1264 NH1 ARG A 83 73.669 4.960 6.931 1.00 0.00 N ATOM 1265 NH2 ARG A 83 75.384 5.821 8.126 1.00 0.00 N ATOM 0 H ARG A 83 72.316 -0.989 5.838 1.00 0.00 H new ATOM 0 HA ARG A 83 74.427 -1.145 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 83 74.144 0.881 6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.473 1.010 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 83 73.049 2.016 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 83 74.281 0.818 9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 83 75.958 2.212 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 83 75.105 2.537 7.041 1.00 0.00 H new ATOM 0 HE ARG A 83 74.216 3.867 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 83 72.999 4.210 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 83 73.668 5.788 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 83 76.054 5.743 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 83 75.383 6.650 7.531 1.00 0.00 H new ATOM 1279 N CYS A 84 71.187 -1.176 8.421 1.00 0.00 N ATOM 1280 CA CYS A 84 70.158 -1.456 9.464 1.00 0.00 C ATOM 1281 C CYS A 84 69.950 -2.966 9.607 1.00 0.00 C ATOM 1282 O CYS A 84 69.029 -3.417 10.258 1.00 0.00 O ATOM 1283 CB CYS A 84 68.882 -0.786 8.954 1.00 0.00 C ATOM 1284 SG CYS A 84 68.331 0.453 10.153 1.00 0.00 S ATOM 0 H CYS A 84 70.826 -1.065 7.474 1.00 0.00 H new ATOM 0 HA CYS A 84 70.451 -1.080 10.444 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.066 -0.316 7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.102 -1.532 8.802 1.00 0.00 H new ATOM 0 HG CYS A 84 67.247 1.025 9.719 1.00 0.00 H new ATOM 1290 N MET A 85 70.800 -3.751 9.003 1.00 0.00 N ATOM 1291 CA MET A 85 70.651 -5.231 9.104 1.00 0.00 C ATOM 1292 C MET A 85 70.855 -5.685 10.551 1.00 0.00 C ATOM 1293 O MET A 85 71.951 -5.650 11.074 1.00 0.00 O ATOM 1294 CB MET A 85 71.745 -5.802 8.202 1.00 0.00 C ATOM 1295 CG MET A 85 71.152 -6.152 6.835 1.00 0.00 C ATOM 1296 SD MET A 85 71.241 -7.942 6.579 1.00 0.00 S ATOM 1297 CE MET A 85 70.759 -7.946 4.835 1.00 0.00 C ATOM 0 H MET A 85 71.591 -3.432 8.444 1.00 0.00 H new ATOM 0 HA MET A 85 69.659 -5.568 8.803 1.00 0.00 H new ATOM 0 HB2 MET A 85 72.550 -5.076 8.086 1.00 0.00 H new ATOM 0 HB3 MET A 85 72.180 -6.691 8.659 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.116 -5.817 6.779 1.00 0.00 H new ATOM 0 HG3 MET A 85 71.697 -5.634 6.046 1.00 0.00 H new ATOM 0 HE1 MET A 85 70.748 -8.971 4.463 1.00 0.00 H new ATOM 0 HE2 MET A 85 69.765 -7.511 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 85 71.474 -7.359 4.259 1.00 0.00 H new ATOM 1307 N LYS A 86 69.808 -6.113 11.202 1.00 0.00 N ATOM 1308 CA LYS A 86 69.944 -6.570 12.615 1.00 0.00 C ATOM 1309 C LYS A 86 70.580 -5.470 13.471 1.00 0.00 C ATOM 1310 O LYS A 86 70.906 -4.404 12.986 1.00 0.00 O ATOM 1311 CB LYS A 86 70.858 -7.794 12.549 1.00 0.00 C ATOM 1312 CG LYS A 86 70.169 -8.984 13.219 1.00 0.00 C ATOM 1313 CD LYS A 86 69.146 -9.590 12.257 1.00 0.00 C ATOM 1314 CE LYS A 86 67.747 -9.492 12.871 1.00 0.00 C ATOM 1315 NZ LYS A 86 67.178 -10.863 12.753 1.00 0.00 N ATOM 0 H LYS A 86 68.865 -6.166 10.817 1.00 0.00 H new ATOM 0 HA LYS A 86 68.980 -6.804 13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 86 71.090 -8.032 11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 86 71.804 -7.581 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 86 70.908 -9.734 13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 86 69.675 -8.663 14.136 1.00 0.00 H new ATOM 0 HD2 LYS A 86 69.173 -9.065 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 86 69.394 -10.632 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 86 67.794 -9.172 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 86 67.134 -8.763 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 66.218 -10.876 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 67.139 -11.138 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 67.779 -11.534 13.273 1.00 0.00 H new ATOM 1329 N ASP A 87 70.757 -5.720 14.739 1.00 0.00 N ATOM 1330 CA ASP A 87 71.371 -4.690 15.625 1.00 0.00 C ATOM 1331 C ASP A 87 72.777 -5.127 16.050 1.00 0.00 C ATOM 1332 O ASP A 87 73.217 -6.218 15.743 1.00 0.00 O ATOM 1333 CB ASP A 87 70.444 -4.610 16.838 1.00 0.00 C ATOM 1334 CG ASP A 87 70.521 -3.209 17.448 1.00 0.00 C ATOM 1335 OD1 ASP A 87 71.506 -2.926 18.110 1.00 0.00 O ATOM 1336 OD2 ASP A 87 69.593 -2.443 17.243 1.00 0.00 O ATOM 0 H ASP A 87 70.503 -6.593 15.201 1.00 0.00 H new ATOM 0 HA ASP A 87 71.476 -3.726 15.128 1.00 0.00 H new ATOM 0 HB2 ASP A 87 69.419 -4.833 16.541 1.00 0.00 H new ATOM 0 HB3 ASP A 87 70.731 -5.357 17.578 1.00 0.00 H new ATOM 1341 N ASP A 88 73.485 -4.285 16.752 1.00 0.00 N ATOM 1342 CA ASP A 88 74.860 -4.654 17.194 1.00 0.00 C ATOM 1343 C ASP A 88 74.834 -5.978 17.960 1.00 0.00 C ATOM 1344 O ASP A 88 74.120 -6.133 18.931 1.00 0.00 O ATOM 1345 CB ASP A 88 75.301 -3.514 18.113 1.00 0.00 C ATOM 1346 CG ASP A 88 76.786 -3.220 17.885 1.00 0.00 C ATOM 1347 OD1 ASP A 88 77.091 -2.495 16.953 1.00 0.00 O ATOM 1348 OD2 ASP A 88 77.593 -3.727 18.648 1.00 0.00 O ATOM 0 H ASP A 88 73.171 -3.358 17.039 1.00 0.00 H new ATOM 0 HA ASP A 88 75.540 -4.787 16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 88 74.708 -2.622 17.913 1.00 0.00 H new ATOM 0 HB3 ASP A 88 75.129 -3.785 19.155 1.00 0.00 H new ATOM 1353 N SER A 89 75.611 -6.937 17.532 1.00 0.00 N ATOM 1354 CA SER A 89 75.631 -8.251 18.236 1.00 0.00 C ATOM 1355 C SER A 89 76.681 -8.235 19.350 1.00 0.00 C ATOM 1356 O SER A 89 77.510 -7.339 19.344 1.00 0.00 O ATOM 1357 CB SER A 89 76.005 -9.270 17.161 1.00 0.00 C ATOM 1358 OG SER A 89 74.880 -10.094 16.885 1.00 0.00 O ATOM 1359 OXT SER A 89 76.639 -9.119 20.190 1.00 0.00 O ATOM 0 H SER A 89 76.232 -6.867 16.726 1.00 0.00 H new ATOM 0 HA SER A 89 74.675 -8.485 18.703 1.00 0.00 H new ATOM 0 HB2 SER A 89 76.327 -8.758 16.254 1.00 0.00 H new ATOM 0 HB3 SER A 89 76.844 -9.880 17.497 1.00 0.00 H new ATOM 0 HG SER A 89 75.115 -10.748 16.194 1.00 0.00 H new TER 1365 SER A 89