USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 798 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 73 CYS SG : rot 180:sc= -0.0197 USER MOD Set 1.2: A 90 SER OG : rot 167:sc= 0.0354 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 126:sc= -0.292 (180deg=-1.14!) USER MOD Set 2.2: A 51 ASN : amide:sc= -0.759 X(o=-1.1,f=-0.91) USER MOD Set 3.1: A 30 THR OG1 : rot -35:sc= 0.0958 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 146:sc= -0.323 (180deg=-1.6) USER MOD Set 4.1: A 32 CYS SG : rot -173:sc= 0.449 USER MOD Set 4.2: A 35 CYS SG : rot 81:sc= -2.36! USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.156) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.106 F(o=-0.68,f=-0.11) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.334 (180deg=-1.75!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.516 K(o=0.52,f=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -108:sc= 0.295 USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.0949 (180deg=-0.586) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -0.314 USER MOD Single : A 63 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 67 SER OG : rot -39:sc= 0.32 USER MOD Single : A 69 CYS SG : rot 141:sc= 0.0292 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.712 USER MOD Single : A 78 GLN : amide:sc= -4.85! C(o=-4.8!,f=-12!) USER MOD Single : A 81 LYS NZ :NH3+ -151:sc= -0.198 (180deg=-0.954) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0735 X(o=-0.073,f=-0.024) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.147 F(o=-4.3!,f=-0.15) USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= 0.0764 (180deg=-0.0567) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 56:sc= -0.635! USER MOD Single : A 102 ASN : amide:sc= -0.0734 K(o=-0.073,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.180 -0.392 9.021 1.00 0.23 N ATOM 21 CA VAL A 2 -2.985 -0.497 8.133 1.00 0.25 C ATOM 22 C VAL A 2 -2.035 -1.582 8.656 1.00 0.35 C ATOM 23 O VAL A 2 -1.802 -1.682 9.845 1.00 0.39 O ATOM 24 CB VAL A 2 -2.259 0.845 8.105 1.00 0.39 C ATOM 25 CG1 VAL A 2 -1.116 0.773 7.092 1.00 0.54 C ATOM 26 CG2 VAL A 2 -3.241 1.938 7.677 1.00 0.32 C ATOM 0 HA VAL A 2 -3.308 -0.763 7.126 1.00 0.25 H new ATOM 0 HB VAL A 2 -1.863 1.072 9.095 1.00 0.39 H new ATOM 0 HG11 VAL A 2 -0.592 1.728 7.066 1.00 0.54 H new ATOM 0 HG12 VAL A 2 -0.421 -0.014 7.383 1.00 0.54 H new ATOM 0 HG13 VAL A 2 -1.519 0.553 6.103 1.00 0.54 H new ATOM 0 HG21 VAL A 2 -2.728 2.900 7.655 1.00 0.32 H new ATOM 0 HG22 VAL A 2 -3.628 1.711 6.684 1.00 0.32 H new ATOM 0 HG23 VAL A 2 -4.067 1.983 8.387 1.00 0.32 H new ATOM 36 N LYS A 3 -1.507 -2.368 7.754 1.00 0.53 N ATOM 37 CA LYS A 3 -0.570 -3.459 8.176 1.00 0.67 C ATOM 38 C LYS A 3 0.878 -3.073 7.857 1.00 0.42 C ATOM 39 O LYS A 3 1.129 -2.313 6.942 1.00 0.10 O ATOM 40 CB LYS A 3 -0.930 -4.741 7.426 1.00 0.85 C ATOM 41 CG LYS A 3 -0.514 -5.950 8.266 1.00 1.02 C ATOM 42 CD LYS A 3 -0.839 -7.231 7.494 1.00 1.85 C ATOM 43 CE LYS A 3 -0.054 -8.398 8.098 1.00 1.85 C ATOM 44 NZ LYS A 3 -0.400 -8.574 9.536 1.00 0.77 N ATOM 0 H LYS A 3 -1.680 -2.305 6.751 1.00 0.53 H new ATOM 0 HA LYS A 3 -0.662 -3.614 9.251 1.00 0.67 H new ATOM 0 HB2 LYS A 3 -2.001 -4.772 7.228 1.00 0.85 H new ATOM 0 HB3 LYS A 3 -0.427 -4.764 6.459 1.00 0.85 H new ATOM 0 HG2 LYS A 3 0.552 -5.905 8.488 1.00 1.02 H new ATOM 0 HG3 LYS A 3 -1.039 -5.943 9.221 1.00 1.02 H new ATOM 0 HD2 LYS A 3 -1.909 -7.435 7.539 1.00 1.85 H new ATOM 0 HD3 LYS A 3 -0.582 -7.110 6.442 1.00 1.85 H new ATOM 0 HE2 LYS A 3 -0.275 -9.314 7.550 1.00 1.85 H new ATOM 0 HE3 LYS A 3 1.016 -8.216 7.995 1.00 1.85 H new ATOM 0 HZ1 LYS A 3 -0.022 -9.481 9.876 1.00 0.77 H new ATOM 0 HZ2 LYS A 3 0.014 -7.797 10.090 1.00 0.77 H new ATOM 0 HZ3 LYS A 3 -1.434 -8.567 9.648 1.00 0.77 H new ATOM 58 N GLN A 4 1.796 -3.612 8.621 1.00 0.75 N ATOM 59 CA GLN A 4 3.241 -3.296 8.386 1.00 0.63 C ATOM 60 C GLN A 4 3.977 -4.533 7.860 1.00 0.50 C ATOM 61 O GLN A 4 3.828 -5.619 8.388 1.00 0.69 O ATOM 62 CB GLN A 4 3.875 -2.853 9.704 1.00 0.97 C ATOM 63 CG GLN A 4 5.290 -2.338 9.431 1.00 0.90 C ATOM 64 CD GLN A 4 5.928 -1.887 10.747 1.00 1.71 C ATOM 65 OE1 GLN A 4 6.266 -0.733 10.921 1.00 1.16 O ATOM 66 NE2 GLN A 4 6.109 -2.764 11.697 1.00 3.18 N ATOM 0 H GLN A 4 1.610 -4.253 9.392 1.00 0.75 H new ATOM 0 HA GLN A 4 3.317 -2.499 7.646 1.00 0.63 H new ATOM 0 HB2 GLN A 4 3.273 -2.071 10.167 1.00 0.97 H new ATOM 0 HB3 GLN A 4 3.907 -3.687 10.405 1.00 0.97 H new ATOM 0 HG2 GLN A 4 5.892 -3.122 8.972 1.00 0.90 H new ATOM 0 HG3 GLN A 4 5.257 -1.507 8.726 1.00 0.90 H new ATOM 0 HE21 GLN A 4 5.827 -3.734 11.556 1.00 3.18 H new ATOM 0 HE22 GLN A 4 6.532 -2.479 12.580 1.00 3.18 H new ATOM 75 N ILE A 5 4.758 -4.339 6.828 1.00 0.25 N ATOM 76 CA ILE A 5 5.517 -5.489 6.246 1.00 0.26 C ATOM 77 C ILE A 5 6.983 -5.426 6.694 1.00 0.31 C ATOM 78 O ILE A 5 7.400 -4.476 7.325 1.00 0.23 O ATOM 79 CB ILE A 5 5.447 -5.402 4.715 1.00 0.22 C ATOM 80 CG1 ILE A 5 3.975 -5.236 4.276 1.00 0.12 C ATOM 81 CG2 ILE A 5 6.050 -6.675 4.086 1.00 0.49 C ATOM 82 CD1 ILE A 5 3.113 -6.355 4.877 1.00 0.26 C ATOM 0 H ILE A 5 4.903 -3.442 6.365 1.00 0.25 H new ATOM 0 HA ILE A 5 5.081 -6.428 6.588 1.00 0.26 H new ATOM 0 HB ILE A 5 6.021 -4.540 4.375 1.00 0.22 H new ATOM 0 HG12 ILE A 5 3.599 -4.265 4.598 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.907 -5.259 3.188 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.996 -6.605 3.000 1.00 0.49 H new ATOM 0 HG22 ILE A 5 7.091 -6.774 4.392 1.00 0.49 H new ATOM 0 HG23 ILE A 5 5.489 -7.547 4.421 1.00 0.49 H new ATOM 0 HD11 ILE A 5 2.078 -6.227 4.560 1.00 0.26 H new ATOM 0 HD12 ILE A 5 3.481 -7.322 4.533 1.00 0.26 H new ATOM 0 HD13 ILE A 5 3.168 -6.312 5.965 1.00 0.26 H new ATOM 94 N GLU A 6 7.733 -6.442 6.359 1.00 0.45 N ATOM 95 CA GLU A 6 9.170 -6.453 6.758 1.00 0.53 C ATOM 96 C GLU A 6 9.962 -7.415 5.863 1.00 0.44 C ATOM 97 O GLU A 6 11.110 -7.168 5.546 1.00 0.61 O ATOM 98 CB GLU A 6 9.278 -6.901 8.214 1.00 0.56 C ATOM 99 CG GLU A 6 10.690 -7.429 8.473 1.00 1.91 C ATOM 100 CD GLU A 6 10.982 -7.377 9.974 1.00 2.20 C ATOM 101 OE1 GLU A 6 10.403 -8.199 10.667 1.00 1.63 O ATOM 102 OE2 GLU A 6 11.768 -6.521 10.344 1.00 3.26 O ATOM 0 H GLU A 6 7.417 -7.256 5.832 1.00 0.45 H new ATOM 0 HA GLU A 6 9.583 -5.451 6.645 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.061 -6.067 8.881 1.00 0.56 H new ATOM 0 HB3 GLU A 6 8.542 -7.677 8.424 1.00 0.56 H new ATOM 0 HG2 GLU A 6 10.781 -8.452 8.109 1.00 1.91 H new ATOM 0 HG3 GLU A 6 11.420 -6.831 7.928 1.00 1.91 H new ATOM 109 N SER A 7 9.332 -8.491 5.475 1.00 0.25 N ATOM 110 CA SER A 7 10.036 -9.479 4.602 1.00 0.36 C ATOM 111 C SER A 7 9.055 -10.090 3.593 1.00 0.43 C ATOM 112 O SER A 7 7.875 -9.802 3.619 1.00 0.44 O ATOM 113 CB SER A 7 10.626 -10.585 5.474 1.00 0.32 C ATOM 114 OG SER A 7 9.574 -10.921 6.368 1.00 0.40 O ATOM 0 H SER A 7 8.371 -8.729 5.720 1.00 0.25 H new ATOM 0 HA SER A 7 10.831 -8.972 4.056 1.00 0.36 H new ATOM 0 HB2 SER A 7 10.930 -11.444 4.876 1.00 0.32 H new ATOM 0 HB3 SER A 7 11.510 -10.241 6.010 1.00 0.32 H new ATOM 0 HG SER A 7 9.872 -11.635 6.970 1.00 0.40 H new ATOM 120 N LYS A 8 9.567 -10.922 2.727 1.00 0.50 N ATOM 121 CA LYS A 8 8.679 -11.561 1.709 1.00 0.60 C ATOM 122 C LYS A 8 7.683 -12.496 2.391 1.00 0.56 C ATOM 123 O LYS A 8 6.508 -12.492 2.082 1.00 0.52 O ATOM 124 CB LYS A 8 9.542 -12.355 0.720 1.00 0.84 C ATOM 125 CG LYS A 8 8.632 -13.108 -0.265 1.00 1.11 C ATOM 126 CD LYS A 8 9.484 -13.733 -1.377 1.00 0.87 C ATOM 127 CE LYS A 8 9.010 -13.200 -2.729 1.00 0.94 C ATOM 128 NZ LYS A 8 9.737 -13.876 -3.840 1.00 1.46 N ATOM 0 H LYS A 8 10.551 -11.186 2.678 1.00 0.50 H new ATOM 0 HA LYS A 8 8.124 -10.788 1.177 1.00 0.60 H new ATOM 0 HB2 LYS A 8 10.205 -11.681 0.177 1.00 0.84 H new ATOM 0 HB3 LYS A 8 10.175 -13.060 1.258 1.00 0.84 H new ATOM 0 HG2 LYS A 8 8.074 -13.884 0.260 1.00 1.11 H new ATOM 0 HG3 LYS A 8 7.900 -12.424 -0.695 1.00 1.11 H new ATOM 0 HD2 LYS A 8 10.536 -13.492 -1.225 1.00 0.87 H new ATOM 0 HD3 LYS A 8 9.399 -14.819 -1.350 1.00 0.87 H new ATOM 0 HE2 LYS A 8 7.938 -13.364 -2.835 1.00 0.94 H new ATOM 0 HE3 LYS A 8 9.175 -12.124 -2.780 1.00 0.94 H new ATOM 0 HZ1 LYS A 8 9.403 -13.502 -4.751 1.00 1.46 H new ATOM 0 HZ2 LYS A 8 10.757 -13.698 -3.746 1.00 1.46 H new ATOM 0 HZ3 LYS A 8 9.559 -14.900 -3.799 1.00 1.46 H new ATOM 142 N THR A 9 8.175 -13.272 3.301 1.00 0.62 N ATOM 143 CA THR A 9 7.280 -14.218 4.018 1.00 0.73 C ATOM 144 C THR A 9 6.062 -13.472 4.551 1.00 0.61 C ATOM 145 O THR A 9 4.967 -13.996 4.585 1.00 0.71 O ATOM 146 CB THR A 9 8.045 -14.851 5.183 1.00 0.83 C ATOM 147 OG1 THR A 9 9.097 -15.590 4.570 1.00 0.98 O ATOM 148 CG2 THR A 9 7.197 -15.887 5.915 1.00 1.06 C ATOM 0 H THR A 9 9.155 -13.297 3.583 1.00 0.62 H new ATOM 0 HA THR A 9 6.949 -14.997 3.331 1.00 0.73 H new ATOM 0 HB THR A 9 8.357 -14.078 5.885 1.00 0.83 H new ATOM 0 HG1 THR A 9 9.636 -16.027 5.262 1.00 0.98 H new ATOM 0 HG21 THR A 9 7.773 -16.315 6.735 1.00 1.06 H new ATOM 0 HG22 THR A 9 6.301 -15.409 6.311 1.00 1.06 H new ATOM 0 HG23 THR A 9 6.910 -16.678 5.222 1.00 1.06 H new ATOM 156 N ALA A 10 6.287 -12.262 4.954 1.00 0.43 N ATOM 157 CA ALA A 10 5.170 -11.446 5.490 1.00 0.41 C ATOM 158 C ALA A 10 4.296 -10.930 4.346 1.00 0.30 C ATOM 159 O ALA A 10 3.103 -11.158 4.324 1.00 0.34 O ATOM 160 CB ALA A 10 5.742 -10.264 6.264 1.00 0.37 C ATOM 0 H ALA A 10 7.196 -11.800 4.937 1.00 0.43 H new ATOM 0 HA ALA A 10 4.560 -12.063 6.149 1.00 0.41 H new ATOM 0 HB1 ALA A 10 4.926 -9.660 6.661 1.00 0.37 H new ATOM 0 HB2 ALA A 10 6.356 -10.631 7.087 1.00 0.37 H new ATOM 0 HB3 ALA A 10 6.354 -9.655 5.598 1.00 0.37 H new ATOM 166 N PHE A 11 4.908 -10.239 3.420 1.00 0.17 N ATOM 167 CA PHE A 11 4.125 -9.707 2.270 1.00 0.07 C ATOM 168 C PHE A 11 3.188 -10.794 1.738 1.00 0.10 C ATOM 169 O PHE A 11 2.146 -10.507 1.185 1.00 0.05 O ATOM 170 CB PHE A 11 5.095 -9.281 1.168 1.00 0.07 C ATOM 171 CG PHE A 11 4.322 -8.571 0.055 1.00 0.09 C ATOM 172 CD1 PHE A 11 3.712 -7.352 0.292 1.00 0.19 C ATOM 173 CD2 PHE A 11 4.222 -9.140 -1.204 1.00 0.08 C ATOM 174 CE1 PHE A 11 3.017 -6.712 -0.713 1.00 0.25 C ATOM 175 CE2 PHE A 11 3.525 -8.498 -2.207 1.00 0.10 C ATOM 176 CZ PHE A 11 2.923 -7.285 -1.961 1.00 0.19 C ATOM 0 H PHE A 11 5.905 -10.023 3.411 1.00 0.17 H new ATOM 0 HA PHE A 11 3.531 -8.852 2.591 1.00 0.07 H new ATOM 0 HB2 PHE A 11 5.857 -8.618 1.576 1.00 0.07 H new ATOM 0 HB3 PHE A 11 5.612 -10.153 0.767 1.00 0.07 H new ATOM 0 HD1 PHE A 11 3.780 -6.899 1.270 1.00 0.19 H new ATOM 0 HD2 PHE A 11 4.692 -10.092 -1.402 1.00 0.08 H new ATOM 0 HE1 PHE A 11 2.546 -5.760 -0.520 1.00 0.25 H new ATOM 0 HE2 PHE A 11 3.452 -8.948 -3.186 1.00 0.10 H new ATOM 0 HZ PHE A 11 2.377 -6.783 -2.746 1.00 0.19 H new ATOM 186 N GLN A 12 3.587 -12.022 1.922 1.00 0.23 N ATOM 187 CA GLN A 12 2.742 -13.155 1.438 1.00 0.30 C ATOM 188 C GLN A 12 1.549 -13.374 2.370 1.00 0.34 C ATOM 189 O GLN A 12 0.408 -13.286 1.962 1.00 0.40 O ATOM 190 CB GLN A 12 3.593 -14.425 1.398 1.00 0.47 C ATOM 191 CG GLN A 12 3.692 -14.920 -0.044 1.00 0.64 C ATOM 192 CD GLN A 12 2.307 -15.352 -0.527 1.00 1.62 C ATOM 193 OE1 GLN A 12 1.556 -16.069 0.264 1.00 1.80 O flip ATOM 194 NE2 GLN A 12 1.895 -15.041 -1.627 1.00 2.87 N flip ATOM 0 H GLN A 12 4.456 -12.291 2.383 1.00 0.23 H new ATOM 0 HA GLN A 12 2.366 -12.919 0.442 1.00 0.30 H new ATOM 0 HB2 GLN A 12 4.588 -14.223 1.794 1.00 0.47 H new ATOM 0 HB3 GLN A 12 3.149 -15.195 2.029 1.00 0.47 H new ATOM 0 HG2 GLN A 12 4.083 -14.130 -0.685 1.00 0.64 H new ATOM 0 HG3 GLN A 12 4.389 -15.756 -0.106 1.00 0.64 H new ATOM 0 HE21 GLN A 12 2.477 -14.481 -2.250 1.00 2.87 H new ATOM 0 HE22 GLN A 12 0.967 -15.340 -1.927 1.00 2.87 H new ATOM 203 N GLU A 13 1.847 -13.657 3.599 1.00 0.36 N ATOM 204 CA GLU A 13 0.757 -13.909 4.592 1.00 0.42 C ATOM 205 C GLU A 13 -0.309 -12.810 4.524 1.00 0.36 C ATOM 206 O GLU A 13 -1.490 -13.089 4.553 1.00 0.40 O ATOM 207 CB GLU A 13 1.359 -13.947 5.998 1.00 0.63 C ATOM 208 CG GLU A 13 2.213 -15.210 6.148 1.00 0.58 C ATOM 209 CD GLU A 13 2.646 -15.356 7.608 1.00 0.90 C ATOM 210 OE1 GLU A 13 1.838 -15.872 8.363 1.00 1.21 O ATOM 211 OE2 GLU A 13 3.760 -14.945 7.886 1.00 1.98 O ATOM 0 H GLU A 13 2.796 -13.727 3.967 1.00 0.36 H new ATOM 0 HA GLU A 13 0.284 -14.863 4.358 1.00 0.42 H new ATOM 0 HB2 GLU A 13 1.968 -13.060 6.170 1.00 0.63 H new ATOM 0 HB3 GLU A 13 0.566 -13.939 6.746 1.00 0.63 H new ATOM 0 HG2 GLU A 13 1.645 -16.086 5.836 1.00 0.58 H new ATOM 0 HG3 GLU A 13 3.088 -15.150 5.501 1.00 0.58 H new ATOM 218 N ALA A 14 0.127 -11.585 4.435 1.00 0.37 N ATOM 219 CA ALA A 14 -0.856 -10.464 4.376 1.00 0.41 C ATOM 220 C ALA A 14 -1.839 -10.680 3.224 1.00 0.33 C ATOM 221 O ALA A 14 -3.039 -10.626 3.410 1.00 0.42 O ATOM 222 CB ALA A 14 -0.106 -9.150 4.168 1.00 0.45 C ATOM 0 H ALA A 14 1.109 -11.311 4.401 1.00 0.37 H new ATOM 0 HA ALA A 14 -1.414 -10.429 5.311 1.00 0.41 H new ATOM 0 HB1 ALA A 14 -0.819 -8.327 4.124 1.00 0.45 H new ATOM 0 HB2 ALA A 14 0.583 -8.989 4.997 1.00 0.45 H new ATOM 0 HB3 ALA A 14 0.454 -9.195 3.234 1.00 0.45 H new ATOM 228 N LEU A 15 -1.310 -10.922 2.060 1.00 0.25 N ATOM 229 CA LEU A 15 -2.199 -11.143 0.886 1.00 0.25 C ATOM 230 C LEU A 15 -2.923 -12.484 1.017 1.00 0.29 C ATOM 231 O LEU A 15 -3.872 -12.756 0.306 1.00 0.39 O ATOM 232 CB LEU A 15 -1.354 -11.139 -0.383 1.00 0.20 C ATOM 233 CG LEU A 15 -0.537 -9.843 -0.442 1.00 0.11 C ATOM 234 CD1 LEU A 15 0.401 -9.900 -1.645 1.00 0.19 C ATOM 235 CD2 LEU A 15 -1.477 -8.640 -0.593 1.00 0.17 C ATOM 0 H LEU A 15 -0.309 -10.976 1.870 1.00 0.25 H new ATOM 0 HA LEU A 15 -2.942 -10.347 0.840 1.00 0.25 H new ATOM 0 HB2 LEU A 15 -0.689 -12.003 -0.394 1.00 0.20 H new ATOM 0 HB3 LEU A 15 -1.995 -11.219 -1.261 1.00 0.20 H new ATOM 0 HG LEU A 15 0.039 -9.736 0.477 1.00 0.11 H new ATOM 0 HD11 LEU A 15 0.986 -8.982 -1.694 1.00 0.19 H new ATOM 0 HD12 LEU A 15 1.072 -10.753 -1.543 1.00 0.19 H new ATOM 0 HD13 LEU A 15 -0.185 -10.007 -2.558 1.00 0.19 H new ATOM 0 HD21 LEU A 15 -0.890 -7.722 -0.634 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.055 -8.743 -1.512 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.155 -8.599 0.259 1.00 0.17 H new ATOM 247 N ASP A 16 -2.460 -13.295 1.924 1.00 0.25 N ATOM 248 CA ASP A 16 -3.109 -14.623 2.123 1.00 0.34 C ATOM 249 C ASP A 16 -4.134 -14.539 3.251 1.00 0.38 C ATOM 250 O ASP A 16 -5.040 -15.343 3.336 1.00 0.47 O ATOM 251 CB ASP A 16 -2.042 -15.656 2.477 1.00 0.34 C ATOM 252 CG ASP A 16 -2.516 -17.044 2.041 1.00 0.61 C ATOM 253 OD1 ASP A 16 -2.281 -17.359 0.886 1.00 1.51 O ATOM 254 OD2 ASP A 16 -3.087 -17.712 2.888 1.00 0.41 O ATOM 0 H ASP A 16 -1.666 -13.100 2.534 1.00 0.25 H new ATOM 0 HA ASP A 16 -3.616 -14.918 1.204 1.00 0.34 H new ATOM 0 HB2 ASP A 16 -1.102 -15.409 1.983 1.00 0.34 H new ATOM 0 HB3 ASP A 16 -1.851 -15.645 3.550 1.00 0.34 H new ATOM 259 N ALA A 17 -3.965 -13.560 4.093 1.00 0.34 N ATOM 260 CA ALA A 17 -4.918 -13.387 5.229 1.00 0.42 C ATOM 261 C ALA A 17 -5.905 -12.266 4.905 1.00 0.49 C ATOM 262 O ALA A 17 -6.786 -11.960 5.685 1.00 0.53 O ATOM 263 CB ALA A 17 -4.131 -13.027 6.486 1.00 0.38 C ATOM 0 H ALA A 17 -3.212 -12.873 4.047 1.00 0.34 H new ATOM 0 HA ALA A 17 -5.470 -14.313 5.391 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -4.819 -12.899 7.322 1.00 0.38 H new ATOM 0 HB2 ALA A 17 -3.426 -13.826 6.716 1.00 0.38 H new ATOM 0 HB3 ALA A 17 -3.585 -12.099 6.320 1.00 0.38 H new ATOM 269 N ALA A 18 -5.733 -11.678 3.754 1.00 0.52 N ATOM 270 CA ALA A 18 -6.638 -10.567 3.347 1.00 0.59 C ATOM 271 C ALA A 18 -7.784 -11.099 2.485 1.00 0.75 C ATOM 272 O ALA A 18 -8.345 -10.378 1.684 1.00 1.17 O ATOM 273 CB ALA A 18 -5.834 -9.546 2.543 1.00 0.42 C ATOM 0 H ALA A 18 -5.007 -11.918 3.079 1.00 0.52 H new ATOM 0 HA ALA A 18 -7.058 -10.102 4.239 1.00 0.59 H new ATOM 0 HB1 ALA A 18 -6.486 -8.727 2.239 1.00 0.42 H new ATOM 0 HB2 ALA A 18 -5.024 -9.155 3.158 1.00 0.42 H new ATOM 0 HB3 ALA A 18 -5.418 -10.026 1.657 1.00 0.42 H new ATOM 279 N GLY A 19 -8.113 -12.348 2.668 1.00 0.53 N ATOM 280 CA GLY A 19 -9.216 -12.936 1.858 1.00 0.64 C ATOM 281 C GLY A 19 -9.058 -12.537 0.390 1.00 0.55 C ATOM 282 O GLY A 19 -8.147 -12.979 -0.281 1.00 0.51 O ATOM 0 H GLY A 19 -7.672 -12.981 3.335 1.00 0.53 H new ATOM 0 HA2 GLY A 19 -9.207 -14.022 1.951 1.00 0.64 H new ATOM 0 HA3 GLY A 19 -10.179 -12.591 2.235 1.00 0.64 H new ATOM 286 N ASP A 20 -9.951 -11.709 -0.077 1.00 0.57 N ATOM 287 CA ASP A 20 -9.861 -11.260 -1.501 1.00 0.52 C ATOM 288 C ASP A 20 -10.291 -9.793 -1.629 1.00 0.43 C ATOM 289 O ASP A 20 -10.283 -9.236 -2.710 1.00 0.47 O ATOM 290 CB ASP A 20 -10.769 -12.136 -2.363 1.00 0.73 C ATOM 291 CG ASP A 20 -11.411 -13.215 -1.490 1.00 0.70 C ATOM 292 OD1 ASP A 20 -12.439 -12.902 -0.910 1.00 1.13 O ATOM 293 OD2 ASP A 20 -10.839 -14.292 -1.451 1.00 1.84 O ATOM 0 H ASP A 20 -10.732 -11.326 0.456 1.00 0.57 H new ATOM 0 HA ASP A 20 -8.828 -11.352 -1.837 1.00 0.52 H new ATOM 0 HB2 ASP A 20 -11.541 -11.527 -2.834 1.00 0.73 H new ATOM 0 HB3 ASP A 20 -10.193 -12.597 -3.166 1.00 0.73 H new ATOM 298 N LYS A 21 -10.659 -9.197 -0.526 1.00 0.40 N ATOM 299 CA LYS A 21 -11.085 -7.769 -0.576 1.00 0.31 C ATOM 300 C LYS A 21 -9.970 -6.918 -1.187 1.00 0.26 C ATOM 301 O LYS A 21 -8.831 -7.334 -1.235 1.00 0.29 O ATOM 302 CB LYS A 21 -11.375 -7.285 0.843 1.00 0.34 C ATOM 303 CG LYS A 21 -12.543 -8.088 1.420 1.00 0.37 C ATOM 304 CD LYS A 21 -12.828 -7.607 2.846 1.00 0.68 C ATOM 305 CE LYS A 21 -13.845 -6.464 2.795 1.00 2.45 C ATOM 306 NZ LYS A 21 -15.138 -6.941 2.229 1.00 3.23 N ATOM 0 H LYS A 21 -10.683 -9.631 0.397 1.00 0.40 H new ATOM 0 HA LYS A 21 -11.982 -7.677 -1.189 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -10.491 -7.406 1.469 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -11.617 -6.222 0.835 1.00 0.34 H new ATOM 0 HG2 LYS A 21 -13.429 -7.963 0.797 1.00 0.37 H new ATOM 0 HG3 LYS A 21 -12.303 -9.151 1.423 1.00 0.37 H new ATOM 0 HD2 LYS A 21 -13.215 -8.428 3.450 1.00 0.68 H new ATOM 0 HD3 LYS A 21 -11.906 -7.270 3.320 1.00 0.68 H new ATOM 0 HE2 LYS A 21 -14.005 -6.066 3.797 1.00 2.45 H new ATOM 0 HE3 LYS A 21 -13.454 -5.648 2.187 1.00 2.45 H new ATOM 0 HZ1 LYS A 21 -15.910 -6.713 2.887 1.00 3.23 H new ATOM 0 HZ2 LYS A 21 -15.311 -6.473 1.317 1.00 3.23 H new ATOM 0 HZ3 LYS A 21 -15.096 -7.970 2.088 1.00 3.23 H new ATOM 320 N LEU A 22 -10.313 -5.744 -1.638 1.00 0.21 N ATOM 321 CA LEU A 22 -9.270 -4.866 -2.243 1.00 0.19 C ATOM 322 C LEU A 22 -8.093 -4.721 -1.273 1.00 0.17 C ATOM 323 O LEU A 22 -8.286 -4.548 -0.084 1.00 0.17 O ATOM 324 CB LEU A 22 -9.880 -3.477 -2.524 1.00 0.20 C ATOM 325 CG LEU A 22 -9.953 -3.186 -4.040 1.00 0.52 C ATOM 326 CD1 LEU A 22 -8.559 -3.342 -4.667 1.00 1.48 C ATOM 327 CD2 LEU A 22 -10.953 -4.145 -4.715 1.00 1.96 C ATOM 0 H LEU A 22 -11.257 -5.357 -1.616 1.00 0.21 H new ATOM 0 HA LEU A 22 -8.915 -5.308 -3.174 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -10.880 -3.424 -2.094 1.00 0.20 H new ATOM 0 HB3 LEU A 22 -9.281 -2.710 -2.034 1.00 0.20 H new ATOM 0 HG LEU A 22 -10.296 -2.163 -4.191 1.00 0.52 H new ATOM 0 HD11 LEU A 22 -8.616 -3.136 -5.736 1.00 1.48 H new ATOM 0 HD12 LEU A 22 -7.869 -2.641 -4.198 1.00 1.48 H new ATOM 0 HD13 LEU A 22 -8.202 -4.360 -4.512 1.00 1.48 H new ATOM 0 HD21 LEU A 22 -10.997 -3.932 -5.783 1.00 1.96 H new ATOM 0 HD22 LEU A 22 -10.629 -5.175 -4.564 1.00 1.96 H new ATOM 0 HD23 LEU A 22 -11.941 -4.008 -4.276 1.00 1.96 H new ATOM 339 N VAL A 23 -6.899 -4.795 -1.807 1.00 0.17 N ATOM 340 CA VAL A 23 -5.685 -4.669 -0.940 1.00 0.17 C ATOM 341 C VAL A 23 -4.750 -3.616 -1.547 1.00 0.19 C ATOM 342 O VAL A 23 -4.057 -3.885 -2.508 1.00 0.27 O ATOM 343 CB VAL A 23 -4.970 -6.040 -0.897 1.00 0.20 C ATOM 344 CG1 VAL A 23 -4.086 -6.166 0.361 1.00 0.15 C ATOM 345 CG2 VAL A 23 -6.021 -7.158 -0.886 1.00 0.26 C ATOM 0 H VAL A 23 -6.712 -4.936 -2.800 1.00 0.17 H new ATOM 0 HA VAL A 23 -5.963 -4.367 0.070 1.00 0.17 H new ATOM 0 HB VAL A 23 -4.334 -6.124 -1.778 1.00 0.20 H new ATOM 0 HG11 VAL A 23 -3.596 -7.139 0.365 1.00 0.15 H new ATOM 0 HG12 VAL A 23 -3.331 -5.380 0.356 1.00 0.15 H new ATOM 0 HG13 VAL A 23 -4.706 -6.068 1.252 1.00 0.15 H new ATOM 0 HG21 VAL A 23 -5.522 -8.126 -0.856 1.00 0.26 H new ATOM 0 HG22 VAL A 23 -6.658 -7.050 -0.008 1.00 0.26 H new ATOM 0 HG23 VAL A 23 -6.631 -7.092 -1.787 1.00 0.26 H new ATOM 355 N VAL A 24 -4.746 -2.438 -0.968 1.00 0.13 N ATOM 356 CA VAL A 24 -3.878 -1.349 -1.525 1.00 0.16 C ATOM 357 C VAL A 24 -2.629 -1.133 -0.661 1.00 0.22 C ATOM 358 O VAL A 24 -2.725 -0.875 0.524 1.00 0.43 O ATOM 359 CB VAL A 24 -4.684 -0.057 -1.585 1.00 0.17 C ATOM 360 CG1 VAL A 24 -3.802 1.049 -2.159 1.00 0.18 C ATOM 361 CG2 VAL A 24 -5.893 -0.262 -2.500 1.00 0.14 C ATOM 0 H VAL A 24 -5.296 -2.185 -0.147 1.00 0.13 H new ATOM 0 HA VAL A 24 -3.551 -1.642 -2.523 1.00 0.16 H new ATOM 0 HB VAL A 24 -5.022 0.218 -0.586 1.00 0.17 H new ATOM 0 HG11 VAL A 24 -4.369 1.979 -2.207 1.00 0.18 H new ATOM 0 HG12 VAL A 24 -2.930 1.188 -1.520 1.00 0.18 H new ATOM 0 HG13 VAL A 24 -3.476 0.771 -3.161 1.00 0.18 H new ATOM 0 HG21 VAL A 24 -6.474 0.659 -2.547 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.551 -0.527 -3.501 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.516 -1.064 -2.105 1.00 0.14 H new ATOM 371 N VAL A 25 -1.482 -1.221 -1.288 1.00 0.07 N ATOM 372 CA VAL A 25 -0.204 -1.037 -0.539 1.00 0.11 C ATOM 373 C VAL A 25 0.322 0.385 -0.716 1.00 0.17 C ATOM 374 O VAL A 25 -0.035 1.070 -1.652 1.00 0.37 O ATOM 375 CB VAL A 25 0.828 -2.015 -1.093 1.00 0.12 C ATOM 376 CG1 VAL A 25 1.839 -2.384 -0.004 1.00 0.55 C ATOM 377 CG2 VAL A 25 0.117 -3.276 -1.569 1.00 0.63 C ATOM 0 H VAL A 25 -1.377 -1.412 -2.284 1.00 0.07 H new ATOM 0 HA VAL A 25 -0.382 -1.218 0.521 1.00 0.11 H new ATOM 0 HB VAL A 25 1.355 -1.548 -1.925 1.00 0.12 H new ATOM 0 HG11 VAL A 25 2.571 -3.082 -0.409 1.00 0.55 H new ATOM 0 HG12 VAL A 25 2.348 -1.484 0.340 1.00 0.55 H new ATOM 0 HG13 VAL A 25 1.318 -2.849 0.833 1.00 0.55 H new ATOM 0 HG21 VAL A 25 0.849 -3.979 -1.966 1.00 0.63 H new ATOM 0 HG22 VAL A 25 -0.409 -3.735 -0.732 1.00 0.63 H new ATOM 0 HG23 VAL A 25 -0.598 -3.018 -2.350 1.00 0.63 H new ATOM 387 N ASP A 26 1.165 0.792 0.198 1.00 0.05 N ATOM 388 CA ASP A 26 1.759 2.158 0.109 1.00 0.04 C ATOM 389 C ASP A 26 3.282 2.054 0.199 1.00 0.07 C ATOM 390 O ASP A 26 3.859 2.182 1.263 1.00 0.15 O ATOM 391 CB ASP A 26 1.237 3.012 1.259 1.00 0.03 C ATOM 392 CG ASP A 26 1.953 4.364 1.251 1.00 0.07 C ATOM 393 OD1 ASP A 26 2.004 4.943 0.179 1.00 1.10 O ATOM 394 OD2 ASP A 26 2.408 4.742 2.318 1.00 1.27 O ATOM 0 H ASP A 26 1.467 0.238 1.000 1.00 0.05 H new ATOM 0 HA ASP A 26 1.481 2.618 -0.839 1.00 0.04 H new ATOM 0 HB2 ASP A 26 0.161 3.157 1.160 1.00 0.03 H new ATOM 0 HB3 ASP A 26 1.404 2.505 2.209 1.00 0.03 H new ATOM 399 N PHE A 27 3.898 1.811 -0.921 1.00 0.04 N ATOM 400 CA PHE A 27 5.382 1.689 -0.937 1.00 0.05 C ATOM 401 C PHE A 27 6.029 3.071 -0.804 1.00 0.02 C ATOM 402 O PHE A 27 6.161 3.795 -1.771 1.00 0.02 O ATOM 403 CB PHE A 27 5.800 1.046 -2.253 1.00 0.07 C ATOM 404 CG PHE A 27 5.490 -0.454 -2.209 1.00 0.12 C ATOM 405 CD1 PHE A 27 6.372 -1.333 -1.603 1.00 0.15 C ATOM 406 CD2 PHE A 27 4.324 -0.954 -2.772 1.00 0.14 C ATOM 407 CE1 PHE A 27 6.099 -2.684 -1.567 1.00 0.20 C ATOM 408 CE2 PHE A 27 4.057 -2.311 -2.729 1.00 0.19 C ATOM 409 CZ PHE A 27 4.944 -3.171 -2.128 1.00 0.21 C ATOM 0 H PHE A 27 3.441 1.692 -1.825 1.00 0.04 H new ATOM 0 HA PHE A 27 5.710 1.074 -0.099 1.00 0.05 H new ATOM 0 HB2 PHE A 27 5.270 1.514 -3.083 1.00 0.07 H new ATOM 0 HB3 PHE A 27 6.865 1.203 -2.425 1.00 0.07 H new ATOM 0 HD1 PHE A 27 7.280 -0.958 -1.155 1.00 0.15 H new ATOM 0 HD2 PHE A 27 3.623 -0.282 -3.245 1.00 0.14 H new ATOM 0 HE1 PHE A 27 6.796 -3.362 -1.096 1.00 0.20 H new ATOM 0 HE2 PHE A 27 3.149 -2.695 -3.169 1.00 0.19 H new ATOM 0 HZ PHE A 27 4.733 -4.230 -2.097 1.00 0.21 H new ATOM 419 N SER A 28 6.419 3.406 0.396 1.00 0.05 N ATOM 420 CA SER A 28 7.056 4.738 0.616 1.00 0.08 C ATOM 421 C SER A 28 8.087 4.650 1.748 1.00 0.12 C ATOM 422 O SER A 28 8.323 3.591 2.296 1.00 0.18 O ATOM 423 CB SER A 28 5.975 5.748 0.992 1.00 0.15 C ATOM 424 OG SER A 28 5.913 5.680 2.408 1.00 0.67 O ATOM 0 H SER A 28 6.326 2.822 1.227 1.00 0.05 H new ATOM 0 HA SER A 28 7.561 5.052 -0.297 1.00 0.08 H new ATOM 0 HB2 SER A 28 6.232 6.751 0.652 1.00 0.15 H new ATOM 0 HB3 SER A 28 5.017 5.493 0.539 1.00 0.15 H new ATOM 0 HG SER A 28 5.235 6.307 2.736 1.00 0.67 H new ATOM 430 N ALA A 29 8.679 5.767 2.074 1.00 0.13 N ATOM 431 CA ALA A 29 9.698 5.767 3.167 1.00 0.17 C ATOM 432 C ALA A 29 9.057 6.193 4.494 1.00 0.17 C ATOM 433 O ALA A 29 8.335 7.168 4.553 1.00 0.21 O ATOM 434 CB ALA A 29 10.815 6.745 2.806 1.00 0.26 C ATOM 0 H ALA A 29 8.505 6.672 1.637 1.00 0.13 H new ATOM 0 HA ALA A 29 10.102 4.761 3.280 1.00 0.17 H new ATOM 0 HB1 ALA A 29 11.563 6.751 3.599 1.00 0.26 H new ATOM 0 HB2 ALA A 29 11.280 6.436 1.870 1.00 0.26 H new ATOM 0 HB3 ALA A 29 10.399 7.746 2.692 1.00 0.26 H new ATOM 440 N THR A 30 9.339 5.451 5.532 1.00 0.15 N ATOM 441 CA THR A 30 8.758 5.800 6.863 1.00 0.20 C ATOM 442 C THR A 30 9.756 6.636 7.666 1.00 0.24 C ATOM 443 O THR A 30 9.429 7.180 8.702 1.00 0.59 O ATOM 444 CB THR A 30 8.440 4.512 7.627 1.00 0.34 C ATOM 445 OG1 THR A 30 7.471 4.896 8.598 1.00 0.64 O ATOM 446 CG2 THR A 30 9.644 4.024 8.429 1.00 0.46 C ATOM 0 H THR A 30 9.940 4.627 5.518 1.00 0.15 H new ATOM 0 HA THR A 30 7.846 6.378 6.718 1.00 0.20 H new ATOM 0 HB THR A 30 8.129 3.733 6.930 1.00 0.34 H new ATOM 0 HG1 THR A 30 7.665 5.804 8.912 1.00 0.64 H new ATOM 0 HG21 THR A 30 9.382 3.108 8.958 1.00 0.46 H new ATOM 0 HG22 THR A 30 10.476 3.827 7.753 1.00 0.46 H new ATOM 0 HG23 THR A 30 9.935 4.788 9.149 1.00 0.46 H new ATOM 454 N TRP A 31 10.952 6.717 7.165 1.00 0.32 N ATOM 455 CA TRP A 31 11.999 7.508 7.869 1.00 0.26 C ATOM 456 C TRP A 31 12.074 8.918 7.277 1.00 0.16 C ATOM 457 O TRP A 31 12.163 9.894 7.993 1.00 0.12 O ATOM 458 CB TRP A 31 13.336 6.809 7.672 1.00 0.26 C ATOM 459 CG TRP A 31 13.553 6.603 6.174 1.00 0.17 C ATOM 460 CD1 TRP A 31 13.141 5.530 5.504 1.00 0.12 C ATOM 461 CD2 TRP A 31 14.138 7.469 5.365 1.00 0.15 C ATOM 462 NE1 TRP A 31 13.506 5.787 4.240 1.00 0.09 N ATOM 463 CE2 TRP A 31 14.140 6.994 4.065 1.00 0.14 C ATOM 464 CE3 TRP A 31 14.694 8.713 5.635 1.00 0.20 C ATOM 465 CZ2 TRP A 31 14.690 7.745 3.053 1.00 0.22 C ATOM 466 CZ3 TRP A 31 15.245 9.461 4.614 1.00 0.23 C ATOM 467 CH2 TRP A 31 15.243 8.977 3.325 1.00 0.25 C ATOM 0 H TRP A 31 11.253 6.271 6.299 1.00 0.32 H new ATOM 0 HA TRP A 31 11.758 7.583 8.929 1.00 0.26 H new ATOM 0 HB2 TRP A 31 14.143 7.408 8.094 1.00 0.26 H new ATOM 0 HB3 TRP A 31 13.344 5.851 8.192 1.00 0.26 H new ATOM 0 HD1 TRP A 31 12.633 4.658 5.888 1.00 0.12 H new ATOM 0 HE1 TRP A 31 13.328 5.140 3.472 1.00 0.09 H new ATOM 0 HE3 TRP A 31 14.695 9.095 6.645 1.00 0.20 H new ATOM 0 HZ2 TRP A 31 14.688 7.368 2.041 1.00 0.22 H new ATOM 0 HZ3 TRP A 31 15.678 10.427 4.827 1.00 0.23 H new ATOM 0 HH2 TRP A 31 15.675 9.563 2.527 1.00 0.25 H new ATOM 478 N CYS A 32 12.033 8.988 5.974 1.00 0.14 N ATOM 479 CA CYS A 32 12.105 10.319 5.307 1.00 0.16 C ATOM 480 C CYS A 32 10.993 11.235 5.833 1.00 0.24 C ATOM 481 O CYS A 32 10.132 10.806 6.576 1.00 0.27 O ATOM 482 CB CYS A 32 11.944 10.132 3.802 1.00 0.26 C ATOM 483 SG CYS A 32 12.289 11.560 2.746 1.00 0.77 S ATOM 0 H CYS A 32 11.953 8.188 5.347 1.00 0.14 H new ATOM 0 HA CYS A 32 13.070 10.778 5.523 1.00 0.16 H new ATOM 0 HB2 CYS A 32 12.598 9.317 3.492 1.00 0.26 H new ATOM 0 HB3 CYS A 32 10.921 9.810 3.610 1.00 0.26 H new ATOM 0 HG CYS A 32 11.959 11.283 1.520 1.00 0.77 H new ATOM 489 N GLY A 33 11.036 12.478 5.431 1.00 0.31 N ATOM 490 CA GLY A 33 9.993 13.444 5.897 1.00 0.41 C ATOM 491 C GLY A 33 8.894 13.641 4.833 1.00 0.46 C ATOM 492 O GLY A 33 7.765 13.234 5.024 1.00 0.48 O ATOM 0 H GLY A 33 11.742 12.866 4.805 1.00 0.31 H new ATOM 0 HA2 GLY A 33 9.545 13.080 6.822 1.00 0.41 H new ATOM 0 HA3 GLY A 33 10.458 14.403 6.124 1.00 0.41 H new ATOM 496 N PRO A 34 9.256 14.271 3.732 1.00 0.48 N ATOM 497 CA PRO A 34 8.307 14.530 2.636 1.00 0.55 C ATOM 498 C PRO A 34 7.560 13.255 2.221 1.00 0.53 C ATOM 499 O PRO A 34 6.434 13.317 1.768 1.00 0.56 O ATOM 500 CB PRO A 34 9.167 15.056 1.481 1.00 0.57 C ATOM 501 CG PRO A 34 10.600 15.297 2.046 1.00 0.50 C ATOM 502 CD PRO A 34 10.622 14.765 3.491 1.00 0.45 C ATOM 0 HA PRO A 34 7.537 15.241 2.936 1.00 0.55 H new ATOM 0 HB2 PRO A 34 9.192 14.337 0.662 1.00 0.57 H new ATOM 0 HB3 PRO A 34 8.751 15.981 1.081 1.00 0.57 H new ATOM 0 HG2 PRO A 34 11.344 14.784 1.437 1.00 0.50 H new ATOM 0 HG3 PRO A 34 10.848 16.358 2.024 1.00 0.50 H new ATOM 0 HD2 PRO A 34 11.357 13.968 3.608 1.00 0.45 H new ATOM 0 HD3 PRO A 34 10.889 15.551 4.198 1.00 0.45 H new ATOM 510 N CYS A 35 8.196 12.127 2.378 1.00 0.48 N ATOM 511 CA CYS A 35 7.519 10.855 1.991 1.00 0.48 C ATOM 512 C CYS A 35 6.495 10.453 3.059 1.00 0.47 C ATOM 513 O CYS A 35 5.503 9.817 2.761 1.00 0.54 O ATOM 514 CB CYS A 35 8.564 9.751 1.842 1.00 0.51 C ATOM 515 SG CYS A 35 10.138 10.199 1.069 1.00 0.61 S ATOM 0 H CYS A 35 9.140 12.029 2.751 1.00 0.48 H new ATOM 0 HA CYS A 35 7.000 11.001 1.044 1.00 0.48 H new ATOM 0 HB2 CYS A 35 8.777 9.351 2.834 1.00 0.51 H new ATOM 0 HB3 CYS A 35 8.120 8.943 1.261 1.00 0.51 H new ATOM 0 HG CYS A 35 10.908 10.766 1.950 1.00 0.61 H new ATOM 521 N LYS A 36 6.757 10.832 4.282 1.00 0.48 N ATOM 522 CA LYS A 36 5.806 10.483 5.372 1.00 0.47 C ATOM 523 C LYS A 36 4.782 11.611 5.558 1.00 0.47 C ATOM 524 O LYS A 36 3.873 11.503 6.351 1.00 0.43 O ATOM 525 CB LYS A 36 6.585 10.278 6.673 1.00 0.52 C ATOM 526 CG LYS A 36 5.605 9.903 7.791 1.00 0.57 C ATOM 527 CD LYS A 36 6.361 9.193 8.915 1.00 0.65 C ATOM 528 CE LYS A 36 7.433 10.133 9.476 1.00 1.33 C ATOM 529 NZ LYS A 36 8.703 9.994 8.710 1.00 2.72 N ATOM 0 H LYS A 36 7.580 11.362 4.569 1.00 0.48 H new ATOM 0 HA LYS A 36 5.278 9.566 5.110 1.00 0.47 H new ATOM 0 HB2 LYS A 36 7.329 9.492 6.546 1.00 0.52 H new ATOM 0 HB3 LYS A 36 7.125 11.188 6.936 1.00 0.52 H new ATOM 0 HG2 LYS A 36 5.116 10.798 8.176 1.00 0.57 H new ATOM 0 HG3 LYS A 36 4.821 9.255 7.400 1.00 0.57 H new ATOM 0 HD2 LYS A 36 5.670 8.899 9.705 1.00 0.65 H new ATOM 0 HD3 LYS A 36 6.822 8.280 8.539 1.00 0.65 H new ATOM 0 HE2 LYS A 36 7.083 11.164 9.426 1.00 1.33 H new ATOM 0 HE3 LYS A 36 7.609 9.906 10.528 1.00 1.33 H new ATOM 0 HZ1 LYS A 36 9.509 10.196 9.335 1.00 2.72 H new ATOM 0 HZ2 LYS A 36 8.783 9.024 8.344 1.00 2.72 H new ATOM 0 HZ3 LYS A 36 8.704 10.665 7.916 1.00 2.72 H new ATOM 543 N MET A 37 4.951 12.671 4.817 1.00 0.53 N ATOM 544 CA MET A 37 3.997 13.813 4.946 1.00 0.57 C ATOM 545 C MET A 37 2.612 13.413 4.430 1.00 0.46 C ATOM 546 O MET A 37 1.604 13.789 4.995 1.00 0.37 O ATOM 547 CB MET A 37 4.519 14.994 4.132 1.00 0.71 C ATOM 548 CG MET A 37 4.679 16.206 5.049 1.00 0.64 C ATOM 549 SD MET A 37 3.184 16.863 5.828 1.00 1.22 S ATOM 550 CE MET A 37 3.619 18.617 5.716 1.00 0.88 C ATOM 0 H MET A 37 5.699 12.798 4.135 1.00 0.53 H new ATOM 0 HA MET A 37 3.913 14.090 5.997 1.00 0.57 H new ATOM 0 HB2 MET A 37 5.475 14.741 3.674 1.00 0.71 H new ATOM 0 HB3 MET A 37 3.828 15.225 3.321 1.00 0.71 H new ATOM 0 HG2 MET A 37 5.382 15.940 5.839 1.00 0.64 H new ATOM 0 HG3 MET A 37 5.138 17.008 4.471 1.00 0.64 H new ATOM 0 HE1 MET A 37 2.819 19.219 6.148 1.00 0.88 H new ATOM 0 HE2 MET A 37 4.544 18.798 6.263 1.00 0.88 H new ATOM 0 HE3 MET A 37 3.756 18.892 4.670 1.00 0.88 H new ATOM 560 N ILE A 38 2.592 12.664 3.364 1.00 0.59 N ATOM 561 CA ILE A 38 1.278 12.234 2.795 1.00 0.49 C ATOM 562 C ILE A 38 0.772 10.969 3.509 1.00 0.47 C ATOM 563 O ILE A 38 -0.383 10.624 3.417 1.00 0.28 O ATOM 564 CB ILE A 38 1.452 11.998 1.277 1.00 0.57 C ATOM 565 CG1 ILE A 38 0.595 13.027 0.525 1.00 1.54 C ATOM 566 CG2 ILE A 38 1.007 10.576 0.873 1.00 1.03 C ATOM 567 CD1 ILE A 38 0.829 12.897 -0.985 1.00 2.20 C ATOM 0 H ILE A 38 3.417 12.332 2.864 1.00 0.59 H new ATOM 0 HA ILE A 38 0.529 13.011 2.950 1.00 0.49 H new ATOM 0 HB ILE A 38 2.507 12.106 1.023 1.00 0.57 H new ATOM 0 HG12 ILE A 38 -0.459 12.871 0.753 1.00 1.54 H new ATOM 0 HG13 ILE A 38 0.847 14.035 0.856 1.00 1.54 H new ATOM 0 HG21 ILE A 38 1.142 10.444 -0.200 1.00 1.03 H new ATOM 0 HG22 ILE A 38 1.608 9.841 1.408 1.00 1.03 H new ATOM 0 HG23 ILE A 38 -0.044 10.438 1.126 1.00 1.03 H new ATOM 0 HD11 ILE A 38 0.218 13.630 -1.512 1.00 2.20 H new ATOM 0 HD12 ILE A 38 1.881 13.075 -1.207 1.00 2.20 H new ATOM 0 HD13 ILE A 38 0.554 11.894 -1.311 1.00 2.20 H new ATOM 579 N LYS A 39 1.644 10.311 4.211 1.00 1.04 N ATOM 580 CA LYS A 39 1.213 9.079 4.931 1.00 1.13 C ATOM 581 C LYS A 39 -0.057 9.324 5.786 1.00 1.02 C ATOM 582 O LYS A 39 -1.036 8.639 5.616 1.00 0.94 O ATOM 583 CB LYS A 39 2.347 8.582 5.818 1.00 1.43 C ATOM 584 CG LYS A 39 2.920 7.290 5.225 1.00 2.39 C ATOM 585 CD LYS A 39 4.058 6.791 6.117 1.00 2.73 C ATOM 586 CE LYS A 39 4.370 5.336 5.764 1.00 3.48 C ATOM 587 NZ LYS A 39 5.633 4.899 6.423 1.00 3.93 N ATOM 0 H LYS A 39 2.626 10.565 4.320 1.00 1.04 H new ATOM 0 HA LYS A 39 0.967 8.324 4.184 1.00 1.13 H new ATOM 0 HB2 LYS A 39 3.127 9.340 5.891 1.00 1.43 H new ATOM 0 HB3 LYS A 39 1.982 8.402 6.829 1.00 1.43 H new ATOM 0 HG2 LYS A 39 2.140 6.532 5.151 1.00 2.39 H new ATOM 0 HG3 LYS A 39 3.286 7.470 4.214 1.00 2.39 H new ATOM 0 HD2 LYS A 39 4.944 7.410 5.977 1.00 2.73 H new ATOM 0 HD3 LYS A 39 3.776 6.871 7.167 1.00 2.73 H new ATOM 0 HE2 LYS A 39 3.547 4.694 6.080 1.00 3.48 H new ATOM 0 HE3 LYS A 39 4.461 5.229 4.683 1.00 3.48 H new ATOM 0 HZ1 LYS A 39 5.561 3.894 6.679 1.00 3.93 H new ATOM 0 HZ2 LYS A 39 6.430 5.034 5.769 1.00 3.93 H new ATOM 0 HZ3 LYS A 39 5.790 5.464 7.282 1.00 3.93 H new ATOM 601 N PRO A 40 -0.025 10.305 6.691 1.00 1.13 N ATOM 602 CA PRO A 40 -1.185 10.584 7.553 1.00 1.20 C ATOM 603 C PRO A 40 -2.497 10.623 6.754 1.00 0.99 C ATOM 604 O PRO A 40 -3.567 10.533 7.323 1.00 1.28 O ATOM 605 CB PRO A 40 -0.885 11.937 8.203 1.00 1.35 C ATOM 606 CG PRO A 40 0.605 12.269 7.900 1.00 1.40 C ATOM 607 CD PRO A 40 1.125 11.202 6.914 1.00 1.30 C ATOM 0 HA PRO A 40 -1.327 9.799 8.296 1.00 1.20 H new ATOM 0 HB2 PRO A 40 -1.541 12.710 7.803 1.00 1.35 H new ATOM 0 HB3 PRO A 40 -1.060 11.895 9.278 1.00 1.35 H new ATOM 0 HG2 PRO A 40 0.696 13.266 7.469 1.00 1.40 H new ATOM 0 HG3 PRO A 40 1.194 12.263 8.817 1.00 1.40 H new ATOM 0 HD2 PRO A 40 1.460 11.655 5.981 1.00 1.30 H new ATOM 0 HD3 PRO A 40 1.975 10.660 7.329 1.00 1.30 H new ATOM 615 N PHE A 41 -2.397 10.755 5.459 1.00 0.57 N ATOM 616 CA PHE A 41 -3.646 10.777 4.638 1.00 0.45 C ATOM 617 C PHE A 41 -4.009 9.344 4.221 1.00 0.34 C ATOM 618 O PHE A 41 -5.165 8.970 4.218 1.00 0.37 O ATOM 619 CB PHE A 41 -3.436 11.648 3.397 1.00 0.33 C ATOM 620 CG PHE A 41 -3.411 13.121 3.815 1.00 0.51 C ATOM 621 CD1 PHE A 41 -2.288 13.661 4.416 1.00 0.45 C ATOM 622 CD2 PHE A 41 -4.513 13.931 3.597 1.00 0.75 C ATOM 623 CE1 PHE A 41 -2.268 14.989 4.792 1.00 0.63 C ATOM 624 CE2 PHE A 41 -4.489 15.258 3.974 1.00 0.91 C ATOM 625 CZ PHE A 41 -3.367 15.786 4.571 1.00 0.85 C ATOM 0 H PHE A 41 -1.524 10.847 4.940 1.00 0.57 H new ATOM 0 HA PHE A 41 -4.461 11.196 5.228 1.00 0.45 H new ATOM 0 HB2 PHE A 41 -2.501 11.381 2.905 1.00 0.33 H new ATOM 0 HB3 PHE A 41 -4.236 11.475 2.677 1.00 0.33 H new ATOM 0 HD1 PHE A 41 -1.422 13.040 4.592 1.00 0.45 H new ATOM 0 HD2 PHE A 41 -5.396 13.522 3.129 1.00 0.75 H new ATOM 0 HE1 PHE A 41 -1.388 15.403 5.261 1.00 0.63 H new ATOM 0 HE2 PHE A 41 -5.352 15.883 3.800 1.00 0.91 H new ATOM 0 HZ PHE A 41 -3.349 16.825 4.866 1.00 0.85 H new ATOM 635 N PHE A 42 -3.007 8.577 3.876 1.00 0.21 N ATOM 636 CA PHE A 42 -3.267 7.158 3.479 1.00 0.11 C ATOM 637 C PHE A 42 -3.312 6.284 4.731 1.00 0.25 C ATOM 638 O PHE A 42 -3.769 5.159 4.702 1.00 0.46 O ATOM 639 CB PHE A 42 -2.135 6.674 2.569 1.00 0.14 C ATOM 640 CG PHE A 42 -2.253 5.156 2.375 1.00 0.10 C ATOM 641 CD1 PHE A 42 -3.099 4.641 1.410 1.00 0.12 C ATOM 642 CD2 PHE A 42 -1.518 4.279 3.164 1.00 0.05 C ATOM 643 CE1 PHE A 42 -3.209 3.277 1.234 1.00 0.09 C ATOM 644 CE2 PHE A 42 -1.634 2.915 2.984 1.00 0.01 C ATOM 645 CZ PHE A 42 -2.478 2.417 2.021 1.00 0.04 C ATOM 0 H PHE A 42 -2.029 8.866 3.851 1.00 0.21 H new ATOM 0 HA PHE A 42 -4.218 7.093 2.951 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -2.186 7.180 1.605 1.00 0.14 H new ATOM 0 HB3 PHE A 42 -1.169 6.922 3.008 1.00 0.14 H new ATOM 0 HD1 PHE A 42 -3.677 5.311 0.790 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -0.853 4.666 3.922 1.00 0.05 H new ATOM 0 HE1 PHE A 42 -3.871 2.883 0.477 1.00 0.09 H new ATOM 0 HE2 PHE A 42 -1.061 2.239 3.601 1.00 0.01 H new ATOM 0 HZ PHE A 42 -2.568 1.350 1.882 1.00 0.04 H new ATOM 655 N HIS A 43 -2.829 6.835 5.805 1.00 0.15 N ATOM 656 CA HIS A 43 -2.801 6.084 7.086 1.00 0.28 C ATOM 657 C HIS A 43 -4.135 6.252 7.822 1.00 0.36 C ATOM 658 O HIS A 43 -4.586 5.360 8.512 1.00 0.54 O ATOM 659 CB HIS A 43 -1.664 6.641 7.943 1.00 0.25 C ATOM 660 CG HIS A 43 -1.344 5.662 9.068 1.00 0.39 C ATOM 661 ND1 HIS A 43 -2.132 4.793 9.506 1.00 0.43 N ATOM 662 CD2 HIS A 43 -0.184 5.516 9.808 1.00 0.50 C ATOM 663 CE1 HIS A 43 -1.600 4.114 10.437 1.00 0.54 C ATOM 664 NE2 HIS A 43 -0.352 4.506 10.701 1.00 0.60 N ATOM 0 H HIS A 43 -2.449 7.781 5.851 1.00 0.15 H new ATOM 0 HA HIS A 43 -2.643 5.023 6.893 1.00 0.28 H new ATOM 0 HB2 HIS A 43 -0.779 6.806 7.328 1.00 0.25 H new ATOM 0 HB3 HIS A 43 -1.948 7.608 8.359 1.00 0.25 H new ATOM 0 HD1 HIS A 43 -3.080 4.649 9.159 1.00 0.43 H new ATOM 0 HD2 HIS A 43 0.711 6.110 9.694 1.00 0.50 H new ATOM 0 HE1 HIS A 43 -2.100 3.310 10.957 1.00 0.54 H new ATOM 672 N SER A 44 -4.736 7.400 7.655 1.00 0.48 N ATOM 673 CA SER A 44 -6.038 7.657 8.337 1.00 0.57 C ATOM 674 C SER A 44 -7.134 6.773 7.744 1.00 0.58 C ATOM 675 O SER A 44 -8.136 6.511 8.379 1.00 0.81 O ATOM 676 CB SER A 44 -6.414 9.127 8.160 1.00 0.63 C ATOM 677 OG SER A 44 -5.939 9.752 9.342 1.00 1.91 O ATOM 0 H SER A 44 -4.385 8.166 7.080 1.00 0.48 H new ATOM 0 HA SER A 44 -5.938 7.424 9.397 1.00 0.57 H new ATOM 0 HB2 SER A 44 -5.950 9.553 7.270 1.00 0.63 H new ATOM 0 HB3 SER A 44 -7.491 9.252 8.048 1.00 0.63 H new ATOM 0 HG SER A 44 -6.141 10.710 9.309 1.00 1.91 H new ATOM 683 N LEU A 45 -6.921 6.333 6.541 1.00 0.39 N ATOM 684 CA LEU A 45 -7.943 5.461 5.891 1.00 0.39 C ATOM 685 C LEU A 45 -8.118 4.176 6.704 1.00 0.40 C ATOM 686 O LEU A 45 -9.010 3.391 6.448 1.00 0.41 O ATOM 687 CB LEU A 45 -7.481 5.110 4.477 1.00 0.41 C ATOM 688 CG LEU A 45 -7.068 6.390 3.746 1.00 0.47 C ATOM 689 CD1 LEU A 45 -6.669 6.042 2.310 1.00 0.34 C ATOM 690 CD2 LEU A 45 -8.251 7.360 3.716 1.00 0.55 C ATOM 0 H LEU A 45 -6.093 6.534 5.980 1.00 0.39 H new ATOM 0 HA LEU A 45 -8.895 5.990 5.846 1.00 0.39 H new ATOM 0 HB2 LEU A 45 -6.643 4.415 4.518 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -8.283 4.610 3.934 1.00 0.41 H new ATOM 0 HG LEU A 45 -6.227 6.852 4.263 1.00 0.47 H new ATOM 0 HD11 LEU A 45 -6.374 6.950 1.784 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -5.833 5.343 2.324 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -7.516 5.585 1.798 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -7.960 8.273 3.196 1.00 0.55 H new ATOM 0 HD22 LEU A 45 -9.088 6.896 3.194 1.00 0.55 H new ATOM 0 HD23 LEU A 45 -8.548 7.603 4.736 1.00 0.55 H new ATOM 702 N SER A 46 -7.260 3.993 7.669 1.00 0.39 N ATOM 703 CA SER A 46 -7.355 2.768 8.514 1.00 0.40 C ATOM 704 C SER A 46 -8.750 2.663 9.142 1.00 0.37 C ATOM 705 O SER A 46 -9.297 1.585 9.264 1.00 0.36 O ATOM 706 CB SER A 46 -6.305 2.844 9.622 1.00 0.38 C ATOM 707 OG SER A 46 -7.007 2.449 10.791 1.00 0.91 O ATOM 0 H SER A 46 -6.502 4.633 7.909 1.00 0.39 H new ATOM 0 HA SER A 46 -7.181 1.890 7.893 1.00 0.40 H new ATOM 0 HB2 SER A 46 -5.463 2.182 9.420 1.00 0.38 H new ATOM 0 HB3 SER A 46 -5.901 3.852 9.721 1.00 0.38 H new ATOM 0 HG SER A 46 -7.149 3.229 11.367 1.00 0.91 H new ATOM 713 N GLU A 47 -9.294 3.790 9.524 1.00 0.41 N ATOM 714 CA GLU A 47 -10.651 3.782 10.151 1.00 0.39 C ATOM 715 C GLU A 47 -11.711 4.229 9.138 1.00 0.36 C ATOM 716 O GLU A 47 -12.797 3.687 9.091 1.00 0.30 O ATOM 717 CB GLU A 47 -10.654 4.740 11.342 1.00 0.58 C ATOM 718 CG GLU A 47 -9.688 4.219 12.408 1.00 0.69 C ATOM 719 CD GLU A 47 -8.642 5.294 12.710 1.00 1.71 C ATOM 720 OE1 GLU A 47 -9.033 6.274 13.323 1.00 1.82 O ATOM 721 OE2 GLU A 47 -7.509 5.074 12.312 1.00 3.24 O ATOM 0 H GLU A 47 -8.862 4.709 9.430 1.00 0.41 H new ATOM 0 HA GLU A 47 -10.886 2.770 10.481 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -10.357 5.739 11.022 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -11.659 4.823 11.755 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -10.234 3.961 13.315 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -9.201 3.308 12.060 1.00 0.69 H new ATOM 728 N LYS A 48 -11.372 5.212 8.349 1.00 0.52 N ATOM 729 CA LYS A 48 -12.352 5.710 7.338 1.00 0.65 C ATOM 730 C LYS A 48 -12.886 4.548 6.494 1.00 0.58 C ATOM 731 O LYS A 48 -14.062 4.247 6.522 1.00 0.64 O ATOM 732 CB LYS A 48 -11.666 6.723 6.432 1.00 0.81 C ATOM 733 CG LYS A 48 -12.682 7.792 6.023 1.00 0.99 C ATOM 734 CD LYS A 48 -12.752 8.867 7.110 1.00 1.76 C ATOM 735 CE LYS A 48 -14.158 9.470 7.131 1.00 1.94 C ATOM 736 NZ LYS A 48 -15.147 8.471 7.621 1.00 2.66 N ATOM 0 H LYS A 48 -10.470 5.688 8.358 1.00 0.52 H new ATOM 0 HA LYS A 48 -13.188 6.180 7.855 1.00 0.65 H new ATOM 0 HB2 LYS A 48 -10.824 7.182 6.950 1.00 0.81 H new ATOM 0 HB3 LYS A 48 -11.265 6.227 5.548 1.00 0.81 H new ATOM 0 HG2 LYS A 48 -12.393 8.239 5.072 1.00 0.99 H new ATOM 0 HG3 LYS A 48 -13.664 7.341 5.878 1.00 0.99 H new ATOM 0 HD2 LYS A 48 -12.514 8.435 8.082 1.00 1.76 H new ATOM 0 HD3 LYS A 48 -12.013 9.644 6.918 1.00 1.76 H new ATOM 0 HE2 LYS A 48 -14.173 10.350 7.774 1.00 1.94 H new ATOM 0 HE3 LYS A 48 -14.433 9.801 6.130 1.00 1.94 H new ATOM 0 HZ1 LYS A 48 -15.927 8.962 8.103 1.00 2.66 H new ATOM 0 HZ2 LYS A 48 -15.523 7.931 6.816 1.00 2.66 H new ATOM 0 HZ3 LYS A 48 -14.683 7.821 8.287 1.00 2.66 H new ATOM 750 N TYR A 49 -12.008 3.921 5.759 1.00 0.52 N ATOM 751 CA TYR A 49 -12.450 2.778 4.908 1.00 0.50 C ATOM 752 C TYR A 49 -12.254 1.455 5.653 1.00 0.36 C ATOM 753 O TYR A 49 -11.156 0.942 5.733 1.00 0.32 O ATOM 754 CB TYR A 49 -11.626 2.764 3.621 1.00 0.52 C ATOM 755 CG TYR A 49 -12.259 3.713 2.603 1.00 0.59 C ATOM 756 CD1 TYR A 49 -13.276 3.279 1.777 1.00 0.61 C ATOM 757 CD2 TYR A 49 -11.822 5.018 2.496 1.00 0.64 C ATOM 758 CE1 TYR A 49 -13.847 4.137 0.859 1.00 0.67 C ATOM 759 CE2 TYR A 49 -12.394 5.875 1.579 1.00 0.71 C ATOM 760 CZ TYR A 49 -13.410 5.441 0.753 1.00 0.72 C ATOM 761 OH TYR A 49 -13.980 6.298 -0.166 1.00 0.79 O ATOM 0 H TYR A 49 -11.014 4.147 5.710 1.00 0.52 H new ATOM 0 HA TYR A 49 -13.508 2.896 4.672 1.00 0.50 H new ATOM 0 HB2 TYR A 49 -10.600 3.068 3.829 1.00 0.52 H new ATOM 0 HB3 TYR A 49 -11.583 1.753 3.215 1.00 0.52 H new ATOM 0 HD1 TYR A 49 -13.628 2.260 1.850 1.00 0.61 H new ATOM 0 HD2 TYR A 49 -11.026 5.371 3.135 1.00 0.64 H new ATOM 0 HE1 TYR A 49 -14.642 3.785 0.219 1.00 0.67 H new ATOM 0 HE2 TYR A 49 -12.044 6.894 1.507 1.00 0.71 H new ATOM 0 HH TYR A 49 -13.551 7.177 -0.103 1.00 0.79 H new ATOM 771 N SER A 50 -13.325 0.932 6.183 1.00 0.35 N ATOM 772 CA SER A 50 -13.217 -0.358 6.927 1.00 0.35 C ATOM 773 C SER A 50 -13.549 -1.530 5.999 1.00 0.53 C ATOM 774 O SER A 50 -13.405 -2.679 6.369 1.00 0.62 O ATOM 775 CB SER A 50 -14.197 -0.343 8.098 1.00 0.33 C ATOM 776 OG SER A 50 -15.471 -0.484 7.487 1.00 0.32 O ATOM 0 H SER A 50 -14.261 1.335 6.135 1.00 0.35 H new ATOM 0 HA SER A 50 -12.198 -0.477 7.296 1.00 0.35 H new ATOM 0 HB2 SER A 50 -13.997 -1.157 8.795 1.00 0.33 H new ATOM 0 HB3 SER A 50 -14.127 0.586 8.664 1.00 0.33 H new ATOM 0 HG SER A 50 -16.167 -0.486 8.177 1.00 0.32 H new ATOM 782 N ASN A 51 -13.984 -1.213 4.811 1.00 0.62 N ATOM 783 CA ASN A 51 -14.331 -2.295 3.844 1.00 0.80 C ATOM 784 C ASN A 51 -13.127 -2.611 2.950 1.00 0.71 C ATOM 785 O ASN A 51 -13.262 -3.253 1.927 1.00 1.01 O ATOM 786 CB ASN A 51 -15.500 -1.831 2.975 1.00 0.98 C ATOM 787 CG ASN A 51 -15.991 -3.002 2.122 1.00 1.22 C ATOM 788 OD1 ASN A 51 -16.585 -3.938 2.617 1.00 0.98 O ATOM 789 ND2 ASN A 51 -15.767 -2.987 0.837 1.00 2.23 N ATOM 0 H ASN A 51 -14.114 -0.261 4.469 1.00 0.62 H new ATOM 0 HA ASN A 51 -14.608 -3.194 4.395 1.00 0.80 H new ATOM 0 HB2 ASN A 51 -16.310 -1.459 3.603 1.00 0.98 H new ATOM 0 HB3 ASN A 51 -15.187 -1.006 2.335 1.00 0.98 H new ATOM 0 HD21 ASN A 51 -16.090 -3.759 0.254 1.00 2.23 H new ATOM 0 HD22 ASN A 51 -15.269 -2.203 0.415 1.00 2.23 H new ATOM 796 N VAL A 52 -11.973 -2.154 3.357 1.00 0.30 N ATOM 797 CA VAL A 52 -10.750 -2.417 2.541 1.00 0.19 C ATOM 798 C VAL A 52 -9.543 -2.633 3.455 1.00 0.16 C ATOM 799 O VAL A 52 -9.517 -2.151 4.571 1.00 0.18 O ATOM 800 CB VAL A 52 -10.485 -1.212 1.637 1.00 0.18 C ATOM 801 CG1 VAL A 52 -9.344 -1.546 0.668 1.00 0.15 C ATOM 802 CG2 VAL A 52 -11.752 -0.888 0.842 1.00 0.27 C ATOM 0 H VAL A 52 -11.824 -1.615 4.210 1.00 0.30 H new ATOM 0 HA VAL A 52 -10.906 -3.312 1.939 1.00 0.19 H new ATOM 0 HB VAL A 52 -10.206 -0.351 2.245 1.00 0.18 H new ATOM 0 HG11 VAL A 52 -9.153 -0.689 0.022 1.00 0.15 H new ATOM 0 HG12 VAL A 52 -8.443 -1.782 1.234 1.00 0.15 H new ATOM 0 HG13 VAL A 52 -9.624 -2.405 0.058 1.00 0.15 H new ATOM 0 HG21 VAL A 52 -11.567 -0.029 0.196 1.00 0.27 H new ATOM 0 HG22 VAL A 52 -12.029 -1.748 0.232 1.00 0.27 H new ATOM 0 HG23 VAL A 52 -12.564 -0.656 1.531 1.00 0.27 H new ATOM 812 N ILE A 53 -8.565 -3.351 2.961 1.00 0.14 N ATOM 813 CA ILE A 53 -7.346 -3.601 3.785 1.00 0.14 C ATOM 814 C ILE A 53 -6.198 -2.727 3.285 1.00 0.09 C ATOM 815 O ILE A 53 -6.006 -2.571 2.090 1.00 0.09 O ATOM 816 CB ILE A 53 -6.964 -5.072 3.685 1.00 0.20 C ATOM 817 CG1 ILE A 53 -7.947 -5.890 4.529 1.00 0.35 C ATOM 818 CG2 ILE A 53 -5.547 -5.264 4.226 1.00 0.20 C ATOM 819 CD1 ILE A 53 -8.063 -7.297 3.951 1.00 0.84 C ATOM 0 H ILE A 53 -8.559 -3.771 2.031 1.00 0.14 H new ATOM 0 HA ILE A 53 -7.551 -3.352 4.826 1.00 0.14 H new ATOM 0 HB ILE A 53 -7.001 -5.400 2.646 1.00 0.20 H new ATOM 0 HG12 ILE A 53 -7.604 -5.937 5.563 1.00 0.35 H new ATOM 0 HG13 ILE A 53 -8.924 -5.407 4.539 1.00 0.35 H new ATOM 0 HG21 ILE A 53 -5.270 -6.316 4.156 1.00 0.20 H new ATOM 0 HG22 ILE A 53 -4.850 -4.665 3.640 1.00 0.20 H new ATOM 0 HG23 ILE A 53 -5.510 -4.948 5.268 1.00 0.20 H new ATOM 0 HD11 ILE A 53 -8.762 -7.880 4.550 1.00 0.84 H new ATOM 0 HD12 ILE A 53 -8.425 -7.240 2.924 1.00 0.84 H new ATOM 0 HD13 ILE A 53 -7.085 -7.778 3.964 1.00 0.84 H new ATOM 831 N PHE A 54 -5.458 -2.177 4.214 1.00 0.13 N ATOM 832 CA PHE A 54 -4.328 -1.281 3.829 1.00 0.10 C ATOM 833 C PHE A 54 -3.004 -1.788 4.401 1.00 0.13 C ATOM 834 O PHE A 54 -2.960 -2.357 5.472 1.00 0.30 O ATOM 835 CB PHE A 54 -4.612 0.110 4.381 1.00 0.06 C ATOM 836 CG PHE A 54 -5.906 0.643 3.762 1.00 0.05 C ATOM 837 CD1 PHE A 54 -5.877 1.350 2.574 1.00 0.10 C ATOM 838 CD2 PHE A 54 -7.122 0.420 4.382 1.00 0.06 C ATOM 839 CE1 PHE A 54 -7.046 1.829 2.017 1.00 0.14 C ATOM 840 CE2 PHE A 54 -8.290 0.898 3.823 1.00 0.08 C ATOM 841 CZ PHE A 54 -8.251 1.602 2.643 1.00 0.13 C ATOM 0 H PHE A 54 -5.587 -2.309 5.217 1.00 0.13 H new ATOM 0 HA PHE A 54 -4.243 -1.261 2.742 1.00 0.10 H new ATOM 0 HB2 PHE A 54 -4.703 0.072 5.467 1.00 0.06 H new ATOM 0 HB3 PHE A 54 -3.783 0.781 4.154 1.00 0.06 H new ATOM 0 HD1 PHE A 54 -4.934 1.529 2.079 1.00 0.10 H new ATOM 0 HD2 PHE A 54 -7.158 -0.132 5.310 1.00 0.06 H new ATOM 0 HE1 PHE A 54 -7.015 2.382 1.090 1.00 0.14 H new ATOM 0 HE2 PHE A 54 -9.235 0.719 4.313 1.00 0.08 H new ATOM 0 HZ PHE A 54 -9.165 1.977 2.207 1.00 0.13 H new ATOM 851 N LEU A 55 -1.955 -1.579 3.655 1.00 0.16 N ATOM 852 CA LEU A 55 -0.607 -2.003 4.128 1.00 0.16 C ATOM 853 C LEU A 55 0.404 -0.889 3.830 1.00 0.07 C ATOM 854 O LEU A 55 0.199 -0.088 2.937 1.00 0.19 O ATOM 855 CB LEU A 55 -0.175 -3.279 3.400 1.00 0.23 C ATOM 856 CG LEU A 55 -1.403 -4.163 3.113 1.00 0.41 C ATOM 857 CD1 LEU A 55 -2.167 -3.636 1.895 1.00 0.53 C ATOM 858 CD2 LEU A 55 -0.933 -5.579 2.803 1.00 0.47 C ATOM 0 H LEU A 55 -1.973 -1.133 2.738 1.00 0.16 H new ATOM 0 HA LEU A 55 -0.647 -2.196 5.200 1.00 0.16 H new ATOM 0 HB2 LEU A 55 0.325 -3.023 2.466 1.00 0.23 H new ATOM 0 HB3 LEU A 55 0.545 -3.828 4.007 1.00 0.23 H new ATOM 0 HG LEU A 55 -2.055 -4.151 3.986 1.00 0.41 H new ATOM 0 HD11 LEU A 55 -3.032 -4.271 1.705 1.00 0.53 H new ATOM 0 HD12 LEU A 55 -2.501 -2.617 2.088 1.00 0.53 H new ATOM 0 HD13 LEU A 55 -1.512 -3.644 1.023 1.00 0.53 H new ATOM 0 HD21 LEU A 55 -1.796 -6.212 2.598 1.00 0.47 H new ATOM 0 HD22 LEU A 55 -0.280 -5.563 1.930 1.00 0.47 H new ATOM 0 HD23 LEU A 55 -0.386 -5.976 3.658 1.00 0.47 H new ATOM 870 N GLU A 56 1.472 -0.868 4.578 1.00 0.19 N ATOM 871 CA GLU A 56 2.516 0.187 4.358 1.00 0.14 C ATOM 872 C GLU A 56 3.908 -0.456 4.346 1.00 0.13 C ATOM 873 O GLU A 56 4.317 -1.064 5.316 1.00 0.16 O ATOM 874 CB GLU A 56 2.438 1.222 5.485 1.00 0.29 C ATOM 875 CG GLU A 56 2.881 0.577 6.799 1.00 2.12 C ATOM 876 CD GLU A 56 2.232 1.315 7.971 1.00 2.56 C ATOM 877 OE1 GLU A 56 2.196 2.533 7.889 1.00 1.84 O ATOM 878 OE2 GLU A 56 1.808 0.621 8.880 1.00 3.85 O ATOM 0 H GLU A 56 1.672 -1.529 5.329 1.00 0.19 H new ATOM 0 HA GLU A 56 2.340 0.677 3.400 1.00 0.14 H new ATOM 0 HB2 GLU A 56 3.074 2.076 5.254 1.00 0.29 H new ATOM 0 HB3 GLU A 56 1.419 1.599 5.577 1.00 0.29 H new ATOM 0 HG2 GLU A 56 2.596 -0.475 6.815 1.00 2.12 H new ATOM 0 HG3 GLU A 56 3.967 0.615 6.888 1.00 2.12 H new ATOM 885 N VAL A 57 4.608 -0.310 3.247 1.00 0.16 N ATOM 886 CA VAL A 57 5.975 -0.920 3.156 1.00 0.18 C ATOM 887 C VAL A 57 7.056 0.155 3.294 1.00 0.19 C ATOM 888 O VAL A 57 6.951 1.225 2.726 1.00 0.16 O ATOM 889 CB VAL A 57 6.134 -1.612 1.802 1.00 0.18 C ATOM 890 CG1 VAL A 57 7.611 -1.960 1.591 1.00 0.32 C ATOM 891 CG2 VAL A 57 5.304 -2.895 1.787 1.00 0.27 C ATOM 0 H VAL A 57 4.299 0.198 2.418 1.00 0.16 H new ATOM 0 HA VAL A 57 6.087 -1.642 3.965 1.00 0.18 H new ATOM 0 HB VAL A 57 5.792 -0.950 1.006 1.00 0.18 H new ATOM 0 HG11 VAL A 57 7.734 -2.454 0.627 1.00 0.32 H new ATOM 0 HG12 VAL A 57 8.206 -1.047 1.609 1.00 0.32 H new ATOM 0 HG13 VAL A 57 7.945 -2.627 2.386 1.00 0.32 H new ATOM 0 HG21 VAL A 57 5.416 -3.390 0.822 1.00 0.27 H new ATOM 0 HG22 VAL A 57 5.649 -3.561 2.578 1.00 0.27 H new ATOM 0 HG23 VAL A 57 4.254 -2.651 1.950 1.00 0.27 H new ATOM 901 N ASP A 58 8.074 -0.157 4.049 1.00 0.24 N ATOM 902 CA ASP A 58 9.183 0.822 4.232 1.00 0.26 C ATOM 903 C ASP A 58 10.338 0.473 3.285 1.00 0.27 C ATOM 904 O ASP A 58 10.919 -0.590 3.379 1.00 0.24 O ATOM 905 CB ASP A 58 9.670 0.758 5.678 1.00 0.30 C ATOM 906 CG ASP A 58 10.636 1.916 5.943 1.00 0.31 C ATOM 907 OD1 ASP A 58 10.668 2.798 5.100 1.00 1.22 O ATOM 908 OD2 ASP A 58 11.288 1.853 6.972 1.00 1.25 O ATOM 0 H ASP A 58 8.186 -1.042 4.544 1.00 0.24 H new ATOM 0 HA ASP A 58 8.827 1.828 4.008 1.00 0.26 H new ATOM 0 HB2 ASP A 58 8.823 0.814 6.361 1.00 0.30 H new ATOM 0 HB3 ASP A 58 10.167 -0.194 5.864 1.00 0.30 H new ATOM 913 N VAL A 59 10.643 1.374 2.392 1.00 0.33 N ATOM 914 CA VAL A 59 11.753 1.102 1.430 1.00 0.35 C ATOM 915 C VAL A 59 13.109 1.236 2.131 1.00 0.38 C ATOM 916 O VAL A 59 14.066 1.714 1.553 1.00 0.60 O ATOM 917 CB VAL A 59 11.671 2.099 0.276 1.00 0.35 C ATOM 918 CG1 VAL A 59 10.430 1.790 -0.564 1.00 0.27 C ATOM 919 CG2 VAL A 59 11.557 3.518 0.840 1.00 0.34 C ATOM 0 H VAL A 59 10.180 2.276 2.285 1.00 0.33 H new ATOM 0 HA VAL A 59 11.656 0.085 1.049 1.00 0.35 H new ATOM 0 HB VAL A 59 12.565 2.022 -0.342 1.00 0.35 H new ATOM 0 HG11 VAL A 59 10.364 2.498 -1.390 1.00 0.27 H new ATOM 0 HG12 VAL A 59 10.501 0.777 -0.959 1.00 0.27 H new ATOM 0 HG13 VAL A 59 9.539 1.875 0.058 1.00 0.27 H new ATOM 0 HG21 VAL A 59 11.498 4.232 0.019 1.00 0.34 H new ATOM 0 HG22 VAL A 59 10.659 3.595 1.453 1.00 0.34 H new ATOM 0 HG23 VAL A 59 12.433 3.738 1.451 1.00 0.34 H new ATOM 929 N ASP A 60 13.157 0.808 3.364 1.00 0.27 N ATOM 930 CA ASP A 60 14.436 0.885 4.129 1.00 0.32 C ATOM 931 C ASP A 60 14.655 -0.419 4.901 1.00 0.52 C ATOM 932 O ASP A 60 15.747 -0.951 4.931 1.00 0.74 O ATOM 933 CB ASP A 60 14.365 2.055 5.110 1.00 0.20 C ATOM 934 CG ASP A 60 15.782 2.532 5.432 1.00 0.29 C ATOM 935 OD1 ASP A 60 16.493 1.747 6.038 1.00 0.52 O ATOM 936 OD2 ASP A 60 16.074 3.654 5.054 1.00 1.08 O ATOM 0 H ASP A 60 12.369 0.409 3.874 1.00 0.27 H new ATOM 0 HA ASP A 60 15.266 1.035 3.438 1.00 0.32 H new ATOM 0 HB2 ASP A 60 13.784 2.870 4.680 1.00 0.20 H new ATOM 0 HB3 ASP A 60 13.856 1.748 6.024 1.00 0.20 H new ATOM 941 N ASP A 61 13.601 -0.905 5.505 1.00 0.52 N ATOM 942 CA ASP A 61 13.711 -2.178 6.278 1.00 0.77 C ATOM 943 C ASP A 61 13.117 -3.333 5.465 1.00 0.74 C ATOM 944 O ASP A 61 13.197 -4.479 5.860 1.00 1.02 O ATOM 945 CB ASP A 61 12.943 -2.031 7.590 1.00 0.91 C ATOM 946 CG ASP A 61 13.111 -3.305 8.421 1.00 1.08 C ATOM 947 OD1 ASP A 61 14.178 -3.438 8.998 1.00 1.30 O ATOM 948 OD2 ASP A 61 12.164 -4.073 8.432 1.00 1.53 O ATOM 0 H ASP A 61 12.675 -0.478 5.497 1.00 0.52 H new ATOM 0 HA ASP A 61 14.760 -2.390 6.484 1.00 0.77 H new ATOM 0 HB2 ASP A 61 13.312 -1.169 8.146 1.00 0.91 H new ATOM 0 HB3 ASP A 61 11.887 -1.852 7.388 1.00 0.91 H new ATOM 953 N CYS A 62 12.534 -2.998 4.343 1.00 0.40 N ATOM 954 CA CYS A 62 11.923 -4.053 3.477 1.00 0.35 C ATOM 955 C CYS A 62 12.280 -3.799 2.010 1.00 0.36 C ATOM 956 O CYS A 62 11.547 -4.174 1.116 1.00 0.31 O ATOM 957 CB CYS A 62 10.406 -4.017 3.646 1.00 0.32 C ATOM 958 SG CYS A 62 9.749 -3.145 5.089 1.00 0.49 S ATOM 0 H CYS A 62 12.454 -2.045 3.989 1.00 0.40 H new ATOM 0 HA CYS A 62 12.307 -5.030 3.770 1.00 0.35 H new ATOM 0 HB2 CYS A 62 9.978 -3.561 2.753 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.047 -5.045 3.682 1.00 0.32 H new ATOM 0 HG CYS A 62 8.451 -3.208 5.080 1.00 0.49 H new ATOM 964 N GLN A 63 13.400 -3.166 1.795 1.00 0.54 N ATOM 965 CA GLN A 63 13.820 -2.879 0.398 1.00 0.58 C ATOM 966 C GLN A 63 13.787 -4.163 -0.431 1.00 0.55 C ATOM 967 O GLN A 63 13.864 -4.127 -1.643 1.00 0.55 O ATOM 968 CB GLN A 63 15.237 -2.305 0.403 1.00 0.77 C ATOM 969 CG GLN A 63 16.195 -3.332 1.007 1.00 1.13 C ATOM 970 CD GLN A 63 17.379 -2.603 1.645 1.00 1.23 C ATOM 971 OE1 GLN A 63 17.737 -2.850 2.780 1.00 2.47 O ATOM 972 NE2 GLN A 63 18.014 -1.697 0.952 1.00 0.61 N ATOM 0 H GLN A 63 14.037 -2.838 2.521 1.00 0.54 H new ATOM 0 HA GLN A 63 13.135 -2.155 -0.043 1.00 0.58 H new ATOM 0 HB2 GLN A 63 15.545 -2.057 -0.613 1.00 0.77 H new ATOM 0 HB3 GLN A 63 15.265 -1.381 0.980 1.00 0.77 H new ATOM 0 HG2 GLN A 63 15.678 -3.934 1.754 1.00 1.13 H new ATOM 0 HG3 GLN A 63 16.547 -4.016 0.235 1.00 1.13 H new ATOM 0 HE21 GLN A 63 17.719 -1.484 -0.001 1.00 0.61 H new ATOM 0 HE22 GLN A 63 18.805 -1.202 1.364 1.00 0.61 H new ATOM 981 N ASP A 64 13.673 -5.272 0.244 1.00 0.55 N ATOM 982 CA ASP A 64 13.628 -6.566 -0.483 1.00 0.61 C ATOM 983 C ASP A 64 12.315 -6.684 -1.249 1.00 0.51 C ATOM 984 O ASP A 64 12.291 -7.051 -2.407 1.00 0.58 O ATOM 985 CB ASP A 64 13.744 -7.712 0.522 1.00 0.66 C ATOM 986 CG ASP A 64 13.028 -7.323 1.817 1.00 0.75 C ATOM 987 OD1 ASP A 64 13.645 -6.598 2.580 1.00 1.50 O ATOM 988 OD2 ASP A 64 11.905 -7.773 1.969 1.00 0.40 O ATOM 0 H ASP A 64 13.610 -5.337 1.260 1.00 0.55 H new ATOM 0 HA ASP A 64 14.456 -6.615 -1.190 1.00 0.61 H new ATOM 0 HB2 ASP A 64 13.304 -8.620 0.108 1.00 0.66 H new ATOM 0 HB3 ASP A 64 14.793 -7.929 0.724 1.00 0.66 H new ATOM 993 N VAL A 65 11.254 -6.369 -0.577 1.00 0.39 N ATOM 994 CA VAL A 65 9.923 -6.437 -1.228 1.00 0.35 C ATOM 995 C VAL A 65 9.793 -5.329 -2.267 1.00 0.32 C ATOM 996 O VAL A 65 9.268 -5.534 -3.342 1.00 0.40 O ATOM 997 CB VAL A 65 8.848 -6.272 -0.171 1.00 0.27 C ATOM 998 CG1 VAL A 65 7.495 -6.692 -0.751 1.00 0.40 C ATOM 999 CG2 VAL A 65 9.182 -7.157 1.030 1.00 0.27 C ATOM 0 H VAL A 65 11.248 -6.066 0.397 1.00 0.39 H new ATOM 0 HA VAL A 65 9.810 -7.401 -1.725 1.00 0.35 H new ATOM 0 HB VAL A 65 8.801 -5.229 0.144 1.00 0.27 H new ATOM 0 HG11 VAL A 65 6.721 -6.574 0.008 1.00 0.40 H new ATOM 0 HG12 VAL A 65 7.258 -6.066 -1.611 1.00 0.40 H new ATOM 0 HG13 VAL A 65 7.541 -7.735 -1.063 1.00 0.40 H new ATOM 0 HG21 VAL A 65 8.412 -7.041 1.792 1.00 0.27 H new ATOM 0 HG22 VAL A 65 9.226 -8.199 0.713 1.00 0.27 H new ATOM 0 HG23 VAL A 65 10.147 -6.862 1.442 1.00 0.27 H new ATOM 1009 N ALA A 66 10.276 -4.177 -1.917 1.00 0.27 N ATOM 1010 CA ALA A 66 10.204 -3.037 -2.864 1.00 0.27 C ATOM 1011 C ALA A 66 10.920 -3.404 -4.155 1.00 0.31 C ATOM 1012 O ALA A 66 10.395 -3.243 -5.237 1.00 0.28 O ATOM 1013 CB ALA A 66 10.871 -1.812 -2.234 1.00 0.30 C ATOM 0 H ALA A 66 10.716 -3.974 -1.020 1.00 0.27 H new ATOM 0 HA ALA A 66 9.161 -2.809 -3.084 1.00 0.27 H new ATOM 0 HB1 ALA A 66 10.820 -0.973 -2.928 1.00 0.30 H new ATOM 0 HB2 ALA A 66 10.355 -1.551 -1.310 1.00 0.30 H new ATOM 0 HB3 ALA A 66 11.915 -2.038 -2.015 1.00 0.30 H new ATOM 1019 N SER A 67 12.105 -3.901 -4.006 1.00 0.41 N ATOM 1020 CA SER A 67 12.889 -4.300 -5.203 1.00 0.49 C ATOM 1021 C SER A 67 12.145 -5.402 -5.957 1.00 0.50 C ATOM 1022 O SER A 67 12.513 -5.770 -7.055 1.00 0.59 O ATOM 1023 CB SER A 67 14.257 -4.814 -4.758 1.00 0.58 C ATOM 1024 OG SER A 67 14.999 -4.915 -5.966 1.00 0.56 O ATOM 0 H SER A 67 12.569 -4.050 -3.110 1.00 0.41 H new ATOM 0 HA SER A 67 13.019 -3.441 -5.861 1.00 0.49 H new ATOM 0 HB2 SER A 67 14.731 -4.129 -4.055 1.00 0.58 H new ATOM 0 HB3 SER A 67 14.177 -5.779 -4.258 1.00 0.58 H new ATOM 0 HG SER A 67 14.419 -5.257 -6.678 1.00 0.56 H new ATOM 1030 N GLU A 68 11.109 -5.902 -5.344 1.00 0.44 N ATOM 1031 CA GLU A 68 10.317 -6.975 -5.990 1.00 0.46 C ATOM 1032 C GLU A 68 9.315 -6.363 -6.964 1.00 0.41 C ATOM 1033 O GLU A 68 9.009 -6.933 -7.993 1.00 0.46 O ATOM 1034 CB GLU A 68 9.575 -7.762 -4.912 1.00 0.44 C ATOM 1035 CG GLU A 68 9.407 -9.210 -5.370 1.00 0.74 C ATOM 1036 CD GLU A 68 8.620 -9.988 -4.313 1.00 1.38 C ATOM 1037 OE1 GLU A 68 8.909 -9.763 -3.149 1.00 2.39 O ATOM 1038 OE2 GLU A 68 7.775 -10.763 -4.730 1.00 1.40 O ATOM 0 H GLU A 68 10.779 -5.611 -4.423 1.00 0.44 H new ATOM 0 HA GLU A 68 10.982 -7.641 -6.540 1.00 0.46 H new ATOM 0 HB2 GLU A 68 10.129 -7.727 -3.974 1.00 0.44 H new ATOM 0 HB3 GLU A 68 8.600 -7.313 -4.723 1.00 0.44 H new ATOM 0 HG2 GLU A 68 8.884 -9.243 -6.326 1.00 0.74 H new ATOM 0 HG3 GLU A 68 10.383 -9.670 -5.525 1.00 0.74 H new ATOM 1045 N CYS A 69 8.829 -5.213 -6.612 1.00 0.33 N ATOM 1046 CA CYS A 69 7.849 -4.525 -7.499 1.00 0.28 C ATOM 1047 C CYS A 69 8.594 -3.634 -8.498 1.00 0.26 C ATOM 1048 O CYS A 69 7.993 -3.011 -9.350 1.00 0.20 O ATOM 1049 CB CYS A 69 6.916 -3.666 -6.644 1.00 0.22 C ATOM 1050 SG CYS A 69 5.554 -4.507 -5.800 1.00 0.13 S ATOM 0 H CYS A 69 9.064 -4.717 -5.752 1.00 0.33 H new ATOM 0 HA CYS A 69 7.267 -5.267 -8.046 1.00 0.28 H new ATOM 0 HB2 CYS A 69 7.519 -3.161 -5.890 1.00 0.22 H new ATOM 0 HB3 CYS A 69 6.490 -2.892 -7.283 1.00 0.22 H new ATOM 0 HG CYS A 69 5.403 -4.003 -4.611 1.00 0.13 H new ATOM 1056 N GLU A 70 9.892 -3.596 -8.364 1.00 0.32 N ATOM 1057 CA GLU A 70 10.706 -2.756 -9.290 1.00 0.31 C ATOM 1058 C GLU A 70 10.270 -1.292 -9.204 1.00 0.26 C ATOM 1059 O GLU A 70 10.070 -0.642 -10.210 1.00 0.24 O ATOM 1060 CB GLU A 70 10.520 -3.259 -10.722 1.00 0.32 C ATOM 1061 CG GLU A 70 11.649 -2.707 -11.596 1.00 1.39 C ATOM 1062 CD GLU A 70 11.085 -2.318 -12.965 1.00 1.95 C ATOM 1063 OE1 GLU A 70 10.564 -1.218 -13.042 1.00 2.84 O ATOM 1064 OE2 GLU A 70 11.207 -3.142 -13.856 1.00 1.85 O ATOM 0 H GLU A 70 10.422 -4.107 -7.658 1.00 0.32 H new ATOM 0 HA GLU A 70 11.755 -2.828 -9.004 1.00 0.31 H new ATOM 0 HB2 GLU A 70 10.527 -4.349 -10.742 1.00 0.32 H new ATOM 0 HB3 GLU A 70 9.553 -2.940 -11.110 1.00 0.32 H new ATOM 0 HG2 GLU A 70 12.104 -1.840 -11.118 1.00 1.39 H new ATOM 0 HG3 GLU A 70 12.433 -3.455 -11.712 1.00 1.39 H new ATOM 1071 N VAL A 71 10.133 -0.802 -8.002 1.00 0.26 N ATOM 1072 CA VAL A 71 9.714 0.623 -7.844 1.00 0.23 C ATOM 1073 C VAL A 71 10.849 1.554 -8.281 1.00 0.31 C ATOM 1074 O VAL A 71 12.005 1.182 -8.255 1.00 0.48 O ATOM 1075 CB VAL A 71 9.376 0.897 -6.377 1.00 0.42 C ATOM 1076 CG1 VAL A 71 8.134 1.788 -6.303 1.00 0.50 C ATOM 1077 CG2 VAL A 71 9.087 -0.425 -5.667 1.00 0.73 C ATOM 0 H VAL A 71 10.290 -1.315 -7.135 1.00 0.26 H new ATOM 0 HA VAL A 71 8.837 0.806 -8.465 1.00 0.23 H new ATOM 0 HB VAL A 71 10.218 1.395 -5.896 1.00 0.42 H new ATOM 0 HG11 VAL A 71 7.890 1.986 -5.259 1.00 0.50 H new ATOM 0 HG12 VAL A 71 8.331 2.730 -6.814 1.00 0.50 H new ATOM 0 HG13 VAL A 71 7.295 1.284 -6.783 1.00 0.50 H new ATOM 0 HG21 VAL A 71 8.846 -0.232 -4.622 1.00 0.73 H new ATOM 0 HG22 VAL A 71 8.243 -0.920 -6.148 1.00 0.73 H new ATOM 0 HG23 VAL A 71 9.965 -1.068 -5.724 1.00 0.73 H new ATOM 1087 N LYS A 72 10.491 2.743 -8.673 1.00 0.42 N ATOM 1088 CA LYS A 72 11.533 3.717 -9.109 1.00 0.69 C ATOM 1089 C LYS A 72 11.142 5.130 -8.672 1.00 0.77 C ATOM 1090 O LYS A 72 11.657 6.105 -9.183 1.00 1.03 O ATOM 1091 CB LYS A 72 11.660 3.668 -10.631 1.00 0.90 C ATOM 1092 CG LYS A 72 13.065 4.124 -11.030 1.00 1.29 C ATOM 1093 CD LYS A 72 13.030 4.671 -12.458 1.00 2.28 C ATOM 1094 CE LYS A 72 14.442 4.626 -13.049 1.00 2.40 C ATOM 1095 NZ LYS A 72 14.645 3.367 -13.819 1.00 2.12 N ATOM 0 H LYS A 72 9.530 3.083 -8.711 1.00 0.42 H new ATOM 0 HA LYS A 72 12.487 3.456 -8.651 1.00 0.69 H new ATOM 0 HB2 LYS A 72 11.476 2.656 -10.991 1.00 0.90 H new ATOM 0 HB3 LYS A 72 10.911 4.311 -11.092 1.00 0.90 H new ATOM 0 HG2 LYS A 72 13.420 4.892 -10.342 1.00 1.29 H new ATOM 0 HG3 LYS A 72 13.763 3.290 -10.964 1.00 1.29 H new ATOM 0 HD2 LYS A 72 12.348 4.081 -13.070 1.00 2.28 H new ATOM 0 HD3 LYS A 72 12.655 5.694 -12.459 1.00 2.28 H new ATOM 0 HE2 LYS A 72 14.598 5.486 -13.700 1.00 2.40 H new ATOM 0 HE3 LYS A 72 15.180 4.693 -12.249 1.00 2.40 H new ATOM 0 HZ1 LYS A 72 15.607 3.352 -14.213 1.00 2.12 H new ATOM 0 HZ2 LYS A 72 14.517 2.550 -13.189 1.00 2.12 H new ATOM 0 HZ3 LYS A 72 13.953 3.319 -14.594 1.00 2.12 H new ATOM 1109 N CYS A 73 10.240 5.209 -7.731 1.00 0.55 N ATOM 1110 CA CYS A 73 9.802 6.553 -7.245 1.00 0.60 C ATOM 1111 C CYS A 73 8.751 6.403 -6.145 1.00 0.49 C ATOM 1112 O CYS A 73 7.741 5.754 -6.333 1.00 0.51 O ATOM 1113 CB CYS A 73 9.209 7.344 -8.409 1.00 0.71 C ATOM 1114 SG CYS A 73 8.168 6.442 -9.584 1.00 0.70 S ATOM 0 H CYS A 73 9.791 4.412 -7.281 1.00 0.55 H new ATOM 0 HA CYS A 73 10.665 7.081 -6.840 1.00 0.60 H new ATOM 0 HB2 CYS A 73 8.619 8.162 -7.995 1.00 0.71 H new ATOM 0 HB3 CYS A 73 10.032 7.794 -8.964 1.00 0.71 H new ATOM 0 HG CYS A 73 7.746 7.257 -10.504 1.00 0.70 H new ATOM 1120 N THR A 74 9.017 7.014 -5.022 1.00 0.37 N ATOM 1121 CA THR A 74 8.055 6.930 -3.883 1.00 0.26 C ATOM 1122 C THR A 74 7.338 8.292 -3.708 1.00 0.30 C ATOM 1123 O THR A 74 7.881 9.318 -4.066 1.00 0.37 O ATOM 1124 CB THR A 74 8.850 6.602 -2.613 1.00 0.21 C ATOM 1125 OG1 THR A 74 9.985 7.461 -2.669 1.00 0.33 O ATOM 1126 CG2 THR A 74 9.419 5.188 -2.662 1.00 0.26 C ATOM 0 H THR A 74 9.856 7.566 -4.843 1.00 0.37 H new ATOM 0 HA THR A 74 7.308 6.159 -4.073 1.00 0.26 H new ATOM 0 HB THR A 74 8.214 6.710 -1.735 1.00 0.21 H new ATOM 0 HG1 THR A 74 10.548 7.311 -1.881 1.00 0.33 H new ATOM 0 HG21 THR A 74 9.976 4.988 -1.747 1.00 0.26 H new ATOM 0 HG22 THR A 74 8.604 4.471 -2.754 1.00 0.26 H new ATOM 0 HG23 THR A 74 10.084 5.093 -3.520 1.00 0.26 H new ATOM 1134 N PRO A 75 6.125 8.282 -3.160 1.00 0.29 N ATOM 1135 CA PRO A 75 5.407 7.060 -2.729 1.00 0.23 C ATOM 1136 C PRO A 75 4.787 6.334 -3.937 1.00 0.25 C ATOM 1137 O PRO A 75 4.338 6.967 -4.877 1.00 0.44 O ATOM 1138 CB PRO A 75 4.289 7.571 -1.815 1.00 0.29 C ATOM 1139 CG PRO A 75 4.229 9.121 -1.981 1.00 0.36 C ATOM 1140 CD PRO A 75 5.413 9.531 -2.877 1.00 0.36 C ATOM 0 HA PRO A 75 6.074 6.353 -2.236 1.00 0.23 H new ATOM 0 HB2 PRO A 75 3.335 7.118 -2.084 1.00 0.29 H new ATOM 0 HB3 PRO A 75 4.488 7.303 -0.777 1.00 0.29 H new ATOM 0 HG2 PRO A 75 3.283 9.423 -2.431 1.00 0.36 H new ATOM 0 HG3 PRO A 75 4.292 9.614 -1.011 1.00 0.36 H new ATOM 0 HD2 PRO A 75 5.067 10.005 -3.796 1.00 0.36 H new ATOM 0 HD3 PRO A 75 6.060 10.248 -2.372 1.00 0.36 H new ATOM 1148 N THR A 76 4.776 5.021 -3.880 1.00 0.12 N ATOM 1149 CA THR A 76 4.178 4.230 -5.002 1.00 0.12 C ATOM 1150 C THR A 76 3.009 3.399 -4.469 1.00 0.11 C ATOM 1151 O THR A 76 3.165 2.635 -3.537 1.00 0.10 O ATOM 1152 CB THR A 76 5.243 3.306 -5.601 1.00 0.14 C ATOM 1153 OG1 THR A 76 6.005 4.147 -6.463 1.00 0.19 O ATOM 1154 CG2 THR A 76 4.622 2.252 -6.515 1.00 0.22 C ATOM 0 H THR A 76 5.153 4.468 -3.110 1.00 0.12 H new ATOM 0 HA THR A 76 3.816 4.907 -5.776 1.00 0.12 H new ATOM 0 HB THR A 76 5.799 2.813 -4.804 1.00 0.14 H new ATOM 0 HG1 THR A 76 6.798 4.471 -5.987 1.00 0.19 H new ATOM 0 HG21 THR A 76 5.407 1.615 -6.922 1.00 0.22 H new ATOM 0 HG22 THR A 76 3.920 1.644 -5.945 1.00 0.22 H new ATOM 0 HG23 THR A 76 4.095 2.744 -7.332 1.00 0.22 H new ATOM 1162 N PHE A 77 1.861 3.562 -5.072 1.00 0.14 N ATOM 1163 CA PHE A 77 0.667 2.804 -4.593 1.00 0.12 C ATOM 1164 C PHE A 77 0.419 1.570 -5.454 1.00 0.15 C ATOM 1165 O PHE A 77 0.403 1.648 -6.666 1.00 0.20 O ATOM 1166 CB PHE A 77 -0.548 3.716 -4.655 1.00 0.11 C ATOM 1167 CG PHE A 77 -0.436 4.744 -3.540 1.00 0.10 C ATOM 1168 CD1 PHE A 77 -0.539 4.348 -2.221 1.00 0.13 C ATOM 1169 CD2 PHE A 77 -0.228 6.082 -3.829 1.00 0.19 C ATOM 1170 CE1 PHE A 77 -0.437 5.277 -1.204 1.00 0.22 C ATOM 1171 CE2 PHE A 77 -0.123 7.007 -2.813 1.00 0.25 C ATOM 1172 CZ PHE A 77 -0.228 6.604 -1.501 1.00 0.26 C ATOM 0 H PHE A 77 1.698 4.180 -5.867 1.00 0.14 H new ATOM 0 HA PHE A 77 0.846 2.474 -3.570 1.00 0.12 H new ATOM 0 HB2 PHE A 77 -0.600 4.212 -5.624 1.00 0.11 H new ATOM 0 HB3 PHE A 77 -1.464 3.135 -4.544 1.00 0.11 H new ATOM 0 HD1 PHE A 77 -0.700 3.307 -1.984 1.00 0.13 H new ATOM 0 HD2 PHE A 77 -0.148 6.403 -4.857 1.00 0.19 H new ATOM 0 HE1 PHE A 77 -0.521 4.961 -0.175 1.00 0.22 H new ATOM 0 HE2 PHE A 77 0.042 8.049 -3.046 1.00 0.25 H new ATOM 0 HZ PHE A 77 -0.146 7.329 -0.705 1.00 0.26 H new ATOM 1182 N GLN A 78 0.227 0.456 -4.797 1.00 0.15 N ATOM 1183 CA GLN A 78 -0.029 -0.821 -5.547 1.00 0.21 C ATOM 1184 C GLN A 78 -1.413 -1.387 -5.199 1.00 0.11 C ATOM 1185 O GLN A 78 -1.925 -1.165 -4.121 1.00 0.11 O ATOM 1186 CB GLN A 78 1.039 -1.839 -5.160 1.00 0.34 C ATOM 1187 CG GLN A 78 1.924 -2.159 -6.372 1.00 0.73 C ATOM 1188 CD GLN A 78 2.750 -0.923 -6.738 1.00 0.87 C ATOM 1189 OE1 GLN A 78 2.224 0.157 -6.914 1.00 2.34 O ATOM 1190 NE2 GLN A 78 4.046 -1.036 -6.857 1.00 0.54 N ATOM 0 H GLN A 78 0.235 0.370 -3.781 1.00 0.15 H new ATOM 0 HA GLN A 78 0.005 -0.617 -6.617 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.650 -1.446 -4.347 1.00 0.34 H new ATOM 0 HB3 GLN A 78 0.568 -2.751 -4.793 1.00 0.34 H new ATOM 0 HG2 GLN A 78 2.583 -2.996 -6.144 1.00 0.73 H new ATOM 0 HG3 GLN A 78 1.306 -2.461 -7.218 1.00 0.73 H new ATOM 0 HE21 GLN A 78 4.495 -1.940 -6.711 1.00 0.54 H new ATOM 0 HE22 GLN A 78 4.609 -0.220 -7.096 1.00 0.54 H new ATOM 1199 N PHE A 79 -1.982 -2.108 -6.137 1.00 0.16 N ATOM 1200 CA PHE A 79 -3.336 -2.715 -5.909 1.00 0.11 C ATOM 1201 C PHE A 79 -3.262 -4.244 -6.090 1.00 0.14 C ATOM 1202 O PHE A 79 -2.977 -4.719 -7.172 1.00 0.20 O ATOM 1203 CB PHE A 79 -4.323 -2.150 -6.941 1.00 0.11 C ATOM 1204 CG PHE A 79 -4.681 -0.692 -6.609 1.00 0.13 C ATOM 1205 CD1 PHE A 79 -3.716 0.305 -6.643 1.00 0.14 C ATOM 1206 CD2 PHE A 79 -5.984 -0.350 -6.274 1.00 0.15 C ATOM 1207 CE1 PHE A 79 -4.051 1.614 -6.344 1.00 0.15 C ATOM 1208 CE2 PHE A 79 -6.312 0.957 -5.975 1.00 0.16 C ATOM 1209 CZ PHE A 79 -5.350 1.938 -6.011 1.00 0.16 C ATOM 0 H PHE A 79 -1.569 -2.303 -7.049 1.00 0.16 H new ATOM 0 HA PHE A 79 -3.666 -2.479 -4.897 1.00 0.11 H new ATOM 0 HB2 PHE A 79 -3.885 -2.204 -7.938 1.00 0.11 H new ATOM 0 HB3 PHE A 79 -5.228 -2.757 -6.957 1.00 0.11 H new ATOM 0 HD1 PHE A 79 -2.698 0.058 -6.904 1.00 0.14 H new ATOM 0 HD2 PHE A 79 -6.748 -1.113 -6.247 1.00 0.15 H new ATOM 0 HE1 PHE A 79 -3.294 2.384 -6.371 1.00 0.15 H new ATOM 0 HE2 PHE A 79 -7.328 1.210 -5.712 1.00 0.16 H new ATOM 0 HZ PHE A 79 -5.610 2.960 -5.779 1.00 0.16 H new ATOM 1219 N PHE A 80 -3.519 -4.981 -5.029 1.00 0.14 N ATOM 1220 CA PHE A 80 -3.476 -6.484 -5.137 1.00 0.16 C ATOM 1221 C PHE A 80 -4.842 -7.074 -4.765 1.00 0.11 C ATOM 1222 O PHE A 80 -5.579 -6.498 -3.987 1.00 0.09 O ATOM 1223 CB PHE A 80 -2.423 -7.036 -4.175 1.00 0.24 C ATOM 1224 CG PHE A 80 -1.024 -6.674 -4.677 1.00 0.25 C ATOM 1225 CD1 PHE A 80 -0.494 -7.290 -5.797 1.00 0.32 C ATOM 1226 CD2 PHE A 80 -0.271 -5.726 -4.014 1.00 0.32 C ATOM 1227 CE1 PHE A 80 0.770 -6.958 -6.243 1.00 0.34 C ATOM 1228 CE2 PHE A 80 0.990 -5.396 -4.461 1.00 0.32 C ATOM 1229 CZ PHE A 80 1.511 -6.012 -5.574 1.00 0.27 C ATOM 0 H PHE A 80 -3.753 -4.616 -4.106 1.00 0.14 H new ATOM 0 HA PHE A 80 -3.225 -6.757 -6.162 1.00 0.16 H new ATOM 0 HB2 PHE A 80 -2.579 -6.627 -3.177 1.00 0.24 H new ATOM 0 HB3 PHE A 80 -2.522 -8.119 -4.095 1.00 0.24 H new ATOM 0 HD1 PHE A 80 -1.072 -8.034 -6.325 1.00 0.32 H new ATOM 0 HD2 PHE A 80 -0.673 -5.239 -3.138 1.00 0.32 H new ATOM 0 HE1 PHE A 80 1.177 -7.442 -7.118 1.00 0.34 H new ATOM 0 HE2 PHE A 80 1.570 -4.652 -3.936 1.00 0.32 H new ATOM 0 HZ PHE A 80 2.500 -5.754 -5.922 1.00 0.27 H new ATOM 1239 N LYS A 81 -5.148 -8.212 -5.335 1.00 0.21 N ATOM 1240 CA LYS A 81 -6.453 -8.869 -5.024 1.00 0.24 C ATOM 1241 C LYS A 81 -6.235 -10.363 -4.810 1.00 0.42 C ATOM 1242 O LYS A 81 -5.967 -11.095 -5.738 1.00 0.55 O ATOM 1243 CB LYS A 81 -7.421 -8.649 -6.186 1.00 0.36 C ATOM 1244 CG LYS A 81 -8.756 -9.329 -5.867 1.00 0.66 C ATOM 1245 CD LYS A 81 -9.881 -8.597 -6.604 1.00 0.50 C ATOM 1246 CE LYS A 81 -11.213 -9.285 -6.300 1.00 1.36 C ATOM 1247 NZ LYS A 81 -11.102 -10.758 -6.505 1.00 2.60 N ATOM 0 H LYS A 81 -4.555 -8.711 -5.998 1.00 0.21 H new ATOM 0 HA LYS A 81 -6.873 -8.435 -4.117 1.00 0.24 H new ATOM 0 HB2 LYS A 81 -7.573 -7.582 -6.351 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -7.002 -9.057 -7.106 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -8.727 -10.376 -6.170 1.00 0.66 H new ATOM 0 HG3 LYS A 81 -8.938 -9.314 -4.792 1.00 0.66 H new ATOM 0 HD2 LYS A 81 -9.918 -7.553 -6.292 1.00 0.50 H new ATOM 0 HD3 LYS A 81 -9.692 -8.602 -7.678 1.00 0.50 H new ATOM 0 HE2 LYS A 81 -11.510 -9.077 -5.272 1.00 1.36 H new ATOM 0 HE3 LYS A 81 -11.993 -8.880 -6.945 1.00 1.36 H new ATOM 0 HZ1 LYS A 81 -12.029 -11.141 -6.780 1.00 2.60 H new ATOM 0 HZ2 LYS A 81 -10.410 -10.953 -7.257 1.00 2.60 H new ATOM 0 HZ3 LYS A 81 -10.790 -11.209 -5.621 1.00 2.60 H new ATOM 1261 N LYS A 82 -6.355 -10.783 -3.582 1.00 0.71 N ATOM 1262 CA LYS A 82 -6.141 -12.223 -3.276 1.00 0.95 C ATOM 1263 C LYS A 82 -4.672 -12.586 -3.513 1.00 0.86 C ATOM 1264 O LYS A 82 -4.255 -13.693 -3.237 1.00 1.26 O ATOM 1265 CB LYS A 82 -7.037 -13.079 -4.172 1.00 1.12 C ATOM 1266 CG LYS A 82 -7.358 -14.395 -3.446 1.00 1.87 C ATOM 1267 CD LYS A 82 -7.578 -15.512 -4.472 1.00 2.27 C ATOM 1268 CE LYS A 82 -8.800 -15.185 -5.337 1.00 1.29 C ATOM 1269 NZ LYS A 82 -9.712 -16.362 -5.416 1.00 1.27 N ATOM 0 H LYS A 82 -6.590 -10.195 -2.782 1.00 0.71 H new ATOM 0 HA LYS A 82 -6.394 -12.412 -2.233 1.00 0.95 H new ATOM 0 HB2 LYS A 82 -7.957 -12.544 -4.406 1.00 1.12 H new ATOM 0 HB3 LYS A 82 -6.538 -13.283 -5.119 1.00 1.12 H new ATOM 0 HG2 LYS A 82 -6.541 -14.660 -2.775 1.00 1.87 H new ATOM 0 HG3 LYS A 82 -8.249 -14.273 -2.830 1.00 1.87 H new ATOM 0 HD2 LYS A 82 -6.694 -15.621 -5.100 1.00 2.27 H new ATOM 0 HD3 LYS A 82 -7.726 -16.464 -3.962 1.00 2.27 H new ATOM 0 HE2 LYS A 82 -9.333 -14.332 -4.917 1.00 1.29 H new ATOM 0 HE3 LYS A 82 -8.478 -14.898 -6.338 1.00 1.29 H new ATOM 0 HZ1 LYS A 82 -10.535 -16.124 -6.006 1.00 1.27 H new ATOM 0 HZ2 LYS A 82 -9.205 -17.166 -5.837 1.00 1.27 H new ATOM 0 HZ3 LYS A 82 -10.033 -16.617 -4.460 1.00 1.27 H new ATOM 1283 N GLY A 83 -3.921 -11.632 -4.019 1.00 0.42 N ATOM 1284 CA GLY A 83 -2.467 -11.891 -4.277 1.00 0.39 C ATOM 1285 C GLY A 83 -2.073 -11.485 -5.702 1.00 0.36 C ATOM 1286 O GLY A 83 -0.904 -11.337 -5.999 1.00 0.91 O ATOM 0 H GLY A 83 -4.248 -10.697 -4.261 1.00 0.42 H new ATOM 0 HA2 GLY A 83 -1.864 -11.336 -3.559 1.00 0.39 H new ATOM 0 HA3 GLY A 83 -2.251 -12.949 -4.125 1.00 0.39 H new ATOM 1290 N GLN A 84 -3.048 -11.311 -6.557 1.00 0.29 N ATOM 1291 CA GLN A 84 -2.719 -10.923 -7.965 1.00 0.25 C ATOM 1292 C GLN A 84 -2.795 -9.407 -8.146 1.00 0.22 C ATOM 1293 O GLN A 84 -3.579 -8.736 -7.508 1.00 0.33 O ATOM 1294 CB GLN A 84 -3.695 -11.607 -8.925 1.00 0.24 C ATOM 1295 CG GLN A 84 -5.117 -11.475 -8.383 1.00 1.86 C ATOM 1296 CD GLN A 84 -6.111 -11.594 -9.542 1.00 2.41 C ATOM 1297 OE1 GLN A 84 -6.016 -12.481 -10.367 1.00 1.86 O ATOM 1298 NE2 GLN A 84 -7.078 -10.725 -9.639 1.00 3.69 N ATOM 0 H GLN A 84 -4.041 -11.418 -6.349 1.00 0.29 H new ATOM 0 HA GLN A 84 -1.700 -11.244 -8.184 1.00 0.25 H new ATOM 0 HB2 GLN A 84 -3.627 -11.153 -9.914 1.00 0.24 H new ATOM 0 HB3 GLN A 84 -3.434 -12.659 -9.038 1.00 0.24 H new ATOM 0 HG2 GLN A 84 -5.310 -12.251 -7.642 1.00 1.86 H new ATOM 0 HG3 GLN A 84 -5.240 -10.516 -7.880 1.00 1.86 H new ATOM 0 HE21 GLN A 84 -7.163 -9.978 -8.950 1.00 3.69 H new ATOM 0 HE22 GLN A 84 -7.749 -10.792 -10.404 1.00 3.69 H new ATOM 1307 N LYS A 85 -1.969 -8.904 -9.025 1.00 0.48 N ATOM 1308 CA LYS A 85 -1.956 -7.438 -9.272 1.00 0.46 C ATOM 1309 C LYS A 85 -3.058 -7.050 -10.262 1.00 0.43 C ATOM 1310 O LYS A 85 -3.293 -7.739 -11.235 1.00 0.53 O ATOM 1311 CB LYS A 85 -0.595 -7.053 -9.852 1.00 0.55 C ATOM 1312 CG LYS A 85 -0.481 -5.525 -9.900 1.00 0.61 C ATOM 1313 CD LYS A 85 0.975 -5.121 -10.206 1.00 0.82 C ATOM 1314 CE LYS A 85 1.305 -5.399 -11.682 1.00 1.07 C ATOM 1315 NZ LYS A 85 1.710 -4.139 -12.367 1.00 2.08 N ATOM 0 H LYS A 85 -1.306 -9.445 -9.580 1.00 0.48 H new ATOM 0 HA LYS A 85 -2.133 -6.913 -8.333 1.00 0.46 H new ATOM 0 HB2 LYS A 85 0.205 -7.470 -9.241 1.00 0.55 H new ATOM 0 HB3 LYS A 85 -0.482 -7.470 -10.853 1.00 0.55 H new ATOM 0 HG2 LYS A 85 -1.148 -5.125 -10.664 1.00 0.61 H new ATOM 0 HG3 LYS A 85 -0.795 -5.097 -8.948 1.00 0.61 H new ATOM 0 HD2 LYS A 85 1.120 -4.063 -9.986 1.00 0.82 H new ATOM 0 HD3 LYS A 85 1.657 -5.677 -9.563 1.00 0.82 H new ATOM 0 HE2 LYS A 85 2.108 -6.133 -11.750 1.00 1.07 H new ATOM 0 HE3 LYS A 85 0.437 -5.830 -12.181 1.00 1.07 H new ATOM 0 HZ1 LYS A 85 1.930 -4.341 -13.363 1.00 2.08 H new ATOM 0 HZ2 LYS A 85 0.932 -3.451 -12.317 1.00 2.08 H new ATOM 0 HZ3 LYS A 85 2.551 -3.745 -11.900 1.00 2.08 H new ATOM 1329 N VAL A 86 -3.710 -5.952 -9.982 1.00 0.32 N ATOM 1330 CA VAL A 86 -4.801 -5.481 -10.891 1.00 0.31 C ATOM 1331 C VAL A 86 -4.643 -3.981 -11.175 1.00 0.27 C ATOM 1332 O VAL A 86 -5.157 -3.477 -12.154 1.00 0.34 O ATOM 1333 CB VAL A 86 -6.151 -5.735 -10.224 1.00 0.27 C ATOM 1334 CG1 VAL A 86 -6.432 -7.239 -10.215 1.00 0.31 C ATOM 1335 CG2 VAL A 86 -6.103 -5.223 -8.783 1.00 0.22 C ATOM 0 H VAL A 86 -3.537 -5.362 -9.168 1.00 0.32 H new ATOM 0 HA VAL A 86 -4.744 -6.025 -11.834 1.00 0.31 H new ATOM 0 HB VAL A 86 -6.937 -5.217 -10.773 1.00 0.27 H new ATOM 0 HG11 VAL A 86 -7.395 -7.426 -9.740 1.00 0.31 H new ATOM 0 HG12 VAL A 86 -6.454 -7.611 -11.239 1.00 0.31 H new ATOM 0 HG13 VAL A 86 -5.647 -7.752 -9.659 1.00 0.31 H new ATOM 0 HG21 VAL A 86 -7.064 -5.402 -8.301 1.00 0.22 H new ATOM 0 HG22 VAL A 86 -5.320 -5.748 -8.236 1.00 0.22 H new ATOM 0 HG23 VAL A 86 -5.890 -4.154 -8.784 1.00 0.22 H new ATOM 1345 N GLY A 87 -3.934 -3.300 -10.312 1.00 0.20 N ATOM 1346 CA GLY A 87 -3.736 -1.839 -10.522 1.00 0.16 C ATOM 1347 C GLY A 87 -2.404 -1.384 -9.923 1.00 0.22 C ATOM 1348 O GLY A 87 -1.844 -2.042 -9.069 1.00 0.38 O ATOM 0 H GLY A 87 -3.489 -3.689 -9.481 1.00 0.20 H new ATOM 0 HA2 GLY A 87 -3.757 -1.613 -11.588 1.00 0.16 H new ATOM 0 HA3 GLY A 87 -4.555 -1.286 -10.063 1.00 0.16 H new ATOM 1352 N GLU A 88 -1.919 -0.266 -10.390 1.00 0.17 N ATOM 1353 CA GLU A 88 -0.629 0.254 -9.850 1.00 0.21 C ATOM 1354 C GLU A 88 -0.344 1.648 -10.417 1.00 0.20 C ATOM 1355 O GLU A 88 -0.285 1.837 -11.616 1.00 0.21 O ATOM 1356 CB GLU A 88 0.498 -0.701 -10.248 1.00 0.27 C ATOM 1357 CG GLU A 88 1.848 -0.068 -9.900 1.00 1.17 C ATOM 1358 CD GLU A 88 2.445 0.570 -11.156 1.00 1.48 C ATOM 1359 OE1 GLU A 88 2.882 -0.197 -11.998 1.00 1.27 O ATOM 1360 OE2 GLU A 88 2.432 1.790 -11.202 1.00 2.87 O ATOM 0 H GLU A 88 -2.354 0.305 -11.114 1.00 0.17 H new ATOM 0 HA GLU A 88 -0.693 0.323 -8.764 1.00 0.21 H new ATOM 0 HB2 GLU A 88 0.385 -1.652 -9.727 1.00 0.27 H new ATOM 0 HB3 GLU A 88 0.449 -0.915 -11.316 1.00 0.27 H new ATOM 0 HG2 GLU A 88 1.720 0.684 -9.122 1.00 1.17 H new ATOM 0 HG3 GLU A 88 2.526 -0.824 -9.505 1.00 1.17 H new ATOM 1367 N PHE A 89 -0.170 2.594 -9.536 1.00 0.22 N ATOM 1368 CA PHE A 89 0.121 3.976 -9.989 1.00 0.22 C ATOM 1369 C PHE A 89 0.861 4.743 -8.888 1.00 0.18 C ATOM 1370 O PHE A 89 0.484 4.688 -7.731 1.00 0.17 O ATOM 1371 CB PHE A 89 -1.201 4.653 -10.307 1.00 0.26 C ATOM 1372 CG PHE A 89 -1.741 5.371 -9.067 1.00 0.23 C ATOM 1373 CD1 PHE A 89 -1.297 6.639 -8.738 1.00 0.25 C ATOM 1374 CD2 PHE A 89 -2.686 4.759 -8.261 1.00 0.21 C ATOM 1375 CE1 PHE A 89 -1.791 7.284 -7.621 1.00 0.26 C ATOM 1376 CE2 PHE A 89 -3.179 5.406 -7.145 1.00 0.19 C ATOM 1377 CZ PHE A 89 -2.732 6.667 -6.827 1.00 0.22 C ATOM 0 H PHE A 89 -0.217 2.467 -8.525 1.00 0.22 H new ATOM 0 HA PHE A 89 0.756 3.960 -10.875 1.00 0.22 H new ATOM 0 HB2 PHE A 89 -1.066 5.367 -11.119 1.00 0.26 H new ATOM 0 HB3 PHE A 89 -1.923 3.913 -10.651 1.00 0.26 H new ATOM 0 HD1 PHE A 89 -0.560 7.127 -9.358 1.00 0.25 H new ATOM 0 HD2 PHE A 89 -3.040 3.769 -8.507 1.00 0.21 H new ATOM 0 HE1 PHE A 89 -1.439 8.274 -7.370 1.00 0.26 H new ATOM 0 HE2 PHE A 89 -3.916 4.921 -6.522 1.00 0.19 H new ATOM 0 HZ PHE A 89 -3.119 7.173 -5.955 1.00 0.22 H new ATOM 1387 N SER A 90 1.904 5.436 -9.272 1.00 0.18 N ATOM 1388 CA SER A 90 2.694 6.208 -8.264 1.00 0.16 C ATOM 1389 C SER A 90 2.465 7.710 -8.434 1.00 0.15 C ATOM 1390 O SER A 90 2.007 8.160 -9.466 1.00 0.26 O ATOM 1391 CB SER A 90 4.178 5.898 -8.451 1.00 0.21 C ATOM 1392 OG SER A 90 4.500 6.476 -9.707 1.00 0.26 O ATOM 0 H SER A 90 2.241 5.501 -10.233 1.00 0.18 H new ATOM 0 HA SER A 90 2.371 5.918 -7.264 1.00 0.16 H new ATOM 0 HB2 SER A 90 4.779 6.328 -7.649 1.00 0.21 H new ATOM 0 HB3 SER A 90 4.364 4.824 -8.448 1.00 0.21 H new ATOM 0 HG SER A 90 5.474 6.513 -9.810 1.00 0.26 H new ATOM 1398 N GLY A 91 2.795 8.452 -7.407 1.00 0.27 N ATOM 1399 CA GLY A 91 2.609 9.931 -7.471 1.00 0.29 C ATOM 1400 C GLY A 91 1.991 10.443 -6.169 1.00 0.25 C ATOM 1401 O GLY A 91 1.057 9.864 -5.652 1.00 0.31 O ATOM 0 H GLY A 91 3.183 8.099 -6.532 1.00 0.27 H new ATOM 0 HA2 GLY A 91 3.569 10.418 -7.643 1.00 0.29 H new ATOM 0 HA3 GLY A 91 1.966 10.188 -8.313 1.00 0.29 H new ATOM 1405 N ALA A 92 2.528 11.518 -5.663 1.00 0.18 N ATOM 1406 CA ALA A 92 1.980 12.080 -4.396 1.00 0.14 C ATOM 1407 C ALA A 92 0.585 12.667 -4.637 1.00 0.15 C ATOM 1408 O ALA A 92 0.447 13.816 -5.006 1.00 0.66 O ATOM 1409 CB ALA A 92 2.915 13.177 -3.888 1.00 0.10 C ATOM 0 H ALA A 92 3.314 12.028 -6.066 1.00 0.18 H new ATOM 0 HA ALA A 92 1.904 11.285 -3.654 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.519 13.592 -2.961 1.00 0.10 H new ATOM 0 HB2 ALA A 92 3.904 12.756 -3.704 1.00 0.10 H new ATOM 0 HB3 ALA A 92 2.990 13.966 -4.636 1.00 0.10 H new ATOM 1415 N ASN A 93 -0.419 11.860 -4.426 1.00 0.54 N ATOM 1416 CA ASN A 93 -1.813 12.352 -4.637 1.00 0.57 C ATOM 1417 C ASN A 93 -2.799 11.486 -3.850 1.00 0.46 C ATOM 1418 O ASN A 93 -2.807 10.277 -3.983 1.00 0.35 O ATOM 1419 CB ASN A 93 -2.149 12.284 -6.126 1.00 0.62 C ATOM 1420 CG ASN A 93 -3.272 13.277 -6.434 1.00 0.76 C ATOM 1421 OD1 ASN A 93 -4.266 13.388 -5.595 1.00 1.02 O flip ATOM 1422 ND2 ASN A 93 -3.256 13.958 -7.440 1.00 0.70 N flip ATOM 0 H ASN A 93 -0.338 10.890 -4.120 1.00 0.54 H new ATOM 0 HA ASN A 93 -1.889 13.382 -4.288 1.00 0.57 H new ATOM 0 HB2 ASN A 93 -1.267 12.518 -6.721 1.00 0.62 H new ATOM 0 HB3 ASN A 93 -2.456 11.274 -6.396 1.00 0.62 H new ATOM 0 HD21 ASN A 93 -2.482 13.876 -8.099 1.00 0.70 H new ATOM 0 HD22 ASN A 93 -4.016 14.612 -7.625 1.00 0.70 H new ATOM 1429 N LYS A 94 -3.611 12.122 -3.046 1.00 0.53 N ATOM 1430 CA LYS A 94 -4.600 11.349 -2.236 1.00 0.50 C ATOM 1431 C LYS A 94 -5.976 11.394 -2.904 1.00 0.40 C ATOM 1432 O LYS A 94 -6.632 10.381 -3.046 1.00 0.37 O ATOM 1433 CB LYS A 94 -4.702 11.939 -0.815 1.00 0.69 C ATOM 1434 CG LYS A 94 -3.568 12.951 -0.568 1.00 0.39 C ATOM 1435 CD LYS A 94 -3.912 14.281 -1.252 1.00 1.03 C ATOM 1436 CE LYS A 94 -4.397 15.278 -0.194 1.00 1.76 C ATOM 1437 NZ LYS A 94 -3.248 15.789 0.607 1.00 1.42 N ATOM 0 H LYS A 94 -3.633 13.133 -2.915 1.00 0.53 H new ATOM 0 HA LYS A 94 -4.262 10.315 -2.172 1.00 0.50 H new ATOM 0 HB2 LYS A 94 -5.668 12.428 -0.686 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -4.649 11.138 -0.078 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -3.430 13.105 0.502 1.00 0.39 H new ATOM 0 HG3 LYS A 94 -2.627 12.562 -0.958 1.00 0.39 H new ATOM 0 HD2 LYS A 94 -3.037 14.676 -1.768 1.00 1.03 H new ATOM 0 HD3 LYS A 94 -4.684 14.127 -2.006 1.00 1.03 H new ATOM 0 HE2 LYS A 94 -4.910 16.110 -0.677 1.00 1.76 H new ATOM 0 HE3 LYS A 94 -5.121 14.796 0.463 1.00 1.76 H new ATOM 0 HZ1 LYS A 94 -3.465 15.702 1.620 1.00 1.42 H new ATOM 0 HZ2 LYS A 94 -2.397 15.234 0.386 1.00 1.42 H new ATOM 0 HZ3 LYS A 94 -3.079 16.788 0.374 1.00 1.42 H new ATOM 1451 N GLU A 95 -6.389 12.569 -3.301 1.00 0.40 N ATOM 1452 CA GLU A 95 -7.714 12.685 -3.970 1.00 0.32 C ATOM 1453 C GLU A 95 -7.835 11.605 -5.046 1.00 0.24 C ATOM 1454 O GLU A 95 -8.918 11.279 -5.490 1.00 0.21 O ATOM 1455 CB GLU A 95 -7.836 14.066 -4.613 1.00 0.24 C ATOM 1456 CG GLU A 95 -8.006 15.118 -3.514 1.00 0.80 C ATOM 1457 CD GLU A 95 -7.796 16.512 -4.111 1.00 1.28 C ATOM 1458 OE1 GLU A 95 -8.005 16.625 -5.308 1.00 1.41 O ATOM 1459 OE2 GLU A 95 -7.439 17.383 -3.336 1.00 2.27 O ATOM 0 H GLU A 95 -5.873 13.442 -3.192 1.00 0.40 H new ATOM 0 HA GLU A 95 -8.509 12.555 -3.236 1.00 0.32 H new ATOM 0 HB2 GLU A 95 -6.949 14.284 -5.207 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -8.688 14.091 -5.292 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -9.001 15.044 -3.075 1.00 0.80 H new ATOM 0 HG3 GLU A 95 -7.289 14.942 -2.712 1.00 0.80 H new ATOM 1466 N LYS A 96 -6.709 11.076 -5.441 1.00 0.23 N ATOM 1467 CA LYS A 96 -6.719 10.011 -6.482 1.00 0.16 C ATOM 1468 C LYS A 96 -7.011 8.650 -5.840 1.00 0.14 C ATOM 1469 O LYS A 96 -7.896 7.940 -6.271 1.00 0.22 O ATOM 1470 CB LYS A 96 -5.352 9.976 -7.164 1.00 0.22 C ATOM 1471 CG LYS A 96 -5.361 8.907 -8.259 1.00 0.23 C ATOM 1472 CD LYS A 96 -4.837 9.519 -9.562 1.00 0.29 C ATOM 1473 CE LYS A 96 -5.865 10.519 -10.103 1.00 1.22 C ATOM 1474 NZ LYS A 96 -5.224 11.843 -10.352 1.00 1.94 N ATOM 0 H LYS A 96 -5.787 11.334 -5.089 1.00 0.23 H new ATOM 0 HA LYS A 96 -7.496 10.225 -7.216 1.00 0.16 H new ATOM 0 HB2 LYS A 96 -5.122 10.951 -7.593 1.00 0.22 H new ATOM 0 HB3 LYS A 96 -4.573 9.758 -6.433 1.00 0.22 H new ATOM 0 HG2 LYS A 96 -4.739 8.062 -7.964 1.00 0.23 H new ATOM 0 HG3 LYS A 96 -6.372 8.525 -8.403 1.00 0.23 H new ATOM 0 HD2 LYS A 96 -3.885 10.019 -9.385 1.00 0.29 H new ATOM 0 HD3 LYS A 96 -4.654 8.735 -10.297 1.00 0.29 H new ATOM 0 HE2 LYS A 96 -6.299 10.139 -11.028 1.00 1.22 H new ATOM 0 HE3 LYS A 96 -6.682 10.632 -9.390 1.00 1.22 H new ATOM 0 HZ1 LYS A 96 -5.934 12.509 -10.718 1.00 1.94 H new ATOM 0 HZ2 LYS A 96 -4.830 12.211 -9.462 1.00 1.94 H new ATOM 0 HZ3 LYS A 96 -4.460 11.733 -11.049 1.00 1.94 H new ATOM 1488 N LEU A 97 -6.259 8.317 -4.818 1.00 0.05 N ATOM 1489 CA LEU A 97 -6.482 7.002 -4.133 1.00 0.05 C ATOM 1490 C LEU A 97 -7.983 6.746 -3.952 1.00 0.10 C ATOM 1491 O LEU A 97 -8.508 5.773 -4.443 1.00 0.05 O ATOM 1492 CB LEU A 97 -5.819 7.026 -2.744 1.00 0.10 C ATOM 1493 CG LEU A 97 -4.301 6.795 -2.870 1.00 0.25 C ATOM 1494 CD1 LEU A 97 -3.589 7.370 -1.633 1.00 0.27 C ATOM 1495 CD2 LEU A 97 -4.006 5.285 -2.941 1.00 0.36 C ATOM 0 H LEU A 97 -5.509 8.890 -4.431 1.00 0.05 H new ATOM 0 HA LEU A 97 -6.047 6.212 -4.746 1.00 0.05 H new ATOM 0 HB2 LEU A 97 -6.009 7.984 -2.260 1.00 0.10 H new ATOM 0 HB3 LEU A 97 -6.259 6.256 -2.110 1.00 0.10 H new ATOM 0 HG LEU A 97 -3.944 7.287 -3.775 1.00 0.25 H new ATOM 0 HD11 LEU A 97 -2.515 7.206 -1.722 1.00 0.27 H new ATOM 0 HD12 LEU A 97 -3.789 8.439 -1.563 1.00 0.27 H new ATOM 0 HD13 LEU A 97 -3.958 6.872 -0.736 1.00 0.27 H new ATOM 0 HD21 LEU A 97 -2.931 5.128 -3.030 1.00 0.36 H new ATOM 0 HD22 LEU A 97 -4.370 4.800 -2.035 1.00 0.36 H new ATOM 0 HD23 LEU A 97 -4.508 4.857 -3.808 1.00 0.36 H new ATOM 1507 N GLU A 98 -8.632 7.633 -3.244 1.00 0.27 N ATOM 1508 CA GLU A 98 -10.100 7.465 -3.001 1.00 0.33 C ATOM 1509 C GLU A 98 -10.812 6.971 -4.261 1.00 0.33 C ATOM 1510 O GLU A 98 -11.312 5.865 -4.306 1.00 0.35 O ATOM 1511 CB GLU A 98 -10.690 8.810 -2.577 1.00 0.40 C ATOM 1512 CG GLU A 98 -12.175 8.629 -2.252 1.00 0.46 C ATOM 1513 CD GLU A 98 -13.011 9.420 -3.259 1.00 1.07 C ATOM 1514 OE1 GLU A 98 -12.951 10.635 -3.176 1.00 1.58 O ATOM 1515 OE2 GLU A 98 -13.664 8.764 -4.055 1.00 2.29 O ATOM 0 H GLU A 98 -8.214 8.463 -2.824 1.00 0.27 H new ATOM 0 HA GLU A 98 -10.243 6.723 -2.215 1.00 0.33 H new ATOM 0 HB2 GLU A 98 -10.159 9.195 -1.706 1.00 0.40 H new ATOM 0 HB3 GLU A 98 -10.567 9.542 -3.375 1.00 0.40 H new ATOM 0 HG2 GLU A 98 -12.442 7.573 -2.290 1.00 0.46 H new ATOM 0 HG3 GLU A 98 -12.382 8.974 -1.239 1.00 0.46 H new ATOM 1522 N ALA A 99 -10.842 7.802 -5.252 1.00 0.33 N ATOM 1523 CA ALA A 99 -11.523 7.411 -6.524 1.00 0.34 C ATOM 1524 C ALA A 99 -10.900 6.133 -7.101 1.00 0.25 C ATOM 1525 O ALA A 99 -11.576 5.343 -7.731 1.00 0.18 O ATOM 1526 CB ALA A 99 -11.383 8.548 -7.535 1.00 0.41 C ATOM 0 H ALA A 99 -10.429 8.734 -5.246 1.00 0.33 H new ATOM 0 HA ALA A 99 -12.576 7.220 -6.318 1.00 0.34 H new ATOM 0 HB1 ALA A 99 -11.877 8.270 -8.466 1.00 0.41 H new ATOM 0 HB2 ALA A 99 -11.845 9.450 -7.134 1.00 0.41 H new ATOM 0 HB3 ALA A 99 -10.327 8.736 -7.727 1.00 0.41 H new ATOM 1532 N THR A 100 -9.625 5.954 -6.877 1.00 0.33 N ATOM 1533 CA THR A 100 -8.960 4.729 -7.413 1.00 0.24 C ATOM 1534 C THR A 100 -9.550 3.485 -6.743 1.00 0.17 C ATOM 1535 O THR A 100 -9.879 2.520 -7.403 1.00 0.13 O ATOM 1536 CB THR A 100 -7.454 4.806 -7.139 1.00 0.21 C ATOM 1537 OG1 THR A 100 -7.082 6.121 -7.540 1.00 0.31 O ATOM 1538 CG2 THR A 100 -6.668 3.871 -8.056 1.00 0.15 C ATOM 0 H THR A 100 -9.023 6.591 -6.355 1.00 0.33 H new ATOM 0 HA THR A 100 -9.128 4.665 -8.488 1.00 0.24 H new ATOM 0 HB THR A 100 -7.251 4.550 -6.099 1.00 0.21 H new ATOM 0 HG1 THR A 100 -7.631 6.777 -7.061 1.00 0.31 H new ATOM 0 HG21 THR A 100 -5.604 3.952 -7.833 1.00 0.15 H new ATOM 0 HG22 THR A 100 -6.995 2.844 -7.895 1.00 0.15 H new ATOM 0 HG23 THR A 100 -6.843 4.149 -9.095 1.00 0.15 H new ATOM 1546 N ILE A 101 -9.671 3.530 -5.445 1.00 0.21 N ATOM 1547 CA ILE A 101 -10.261 2.367 -4.733 1.00 0.20 C ATOM 1548 C ILE A 101 -11.677 2.152 -5.244 1.00 0.20 C ATOM 1549 O ILE A 101 -12.136 1.037 -5.383 1.00 0.19 O ATOM 1550 CB ILE A 101 -10.284 2.652 -3.229 1.00 0.33 C ATOM 1551 CG1 ILE A 101 -8.856 2.484 -2.673 1.00 0.30 C ATOM 1552 CG2 ILE A 101 -11.224 1.659 -2.543 1.00 0.53 C ATOM 1553 CD1 ILE A 101 -8.767 3.041 -1.239 1.00 0.74 C ATOM 0 H ILE A 101 -9.390 4.313 -4.854 1.00 0.21 H new ATOM 0 HA ILE A 101 -9.667 1.471 -4.914 1.00 0.20 H new ATOM 0 HB ILE A 101 -10.635 3.667 -3.043 1.00 0.33 H new ATOM 0 HG12 ILE A 101 -8.579 1.430 -2.678 1.00 0.30 H new ATOM 0 HG13 ILE A 101 -8.145 3.003 -3.316 1.00 0.30 H new ATOM 0 HG21 ILE A 101 -11.244 1.858 -1.471 1.00 0.53 H new ATOM 0 HG22 ILE A 101 -12.229 1.768 -2.951 1.00 0.53 H new ATOM 0 HG23 ILE A 101 -10.870 0.643 -2.717 1.00 0.53 H new ATOM 0 HD11 ILE A 101 -7.752 2.914 -0.862 1.00 0.74 H new ATOM 0 HD12 ILE A 101 -9.023 4.101 -1.244 1.00 0.74 H new ATOM 0 HD13 ILE A 101 -9.463 2.503 -0.596 1.00 0.74 H new ATOM 1565 N ASN A 102 -12.333 3.238 -5.518 1.00 0.24 N ATOM 1566 CA ASN A 102 -13.716 3.146 -6.052 1.00 0.29 C ATOM 1567 C ASN A 102 -13.661 2.525 -7.446 1.00 0.28 C ATOM 1568 O ASN A 102 -14.670 2.150 -8.010 1.00 0.34 O ATOM 1569 CB ASN A 102 -14.311 4.551 -6.143 1.00 0.43 C ATOM 1570 CG ASN A 102 -15.775 4.516 -5.703 1.00 1.00 C ATOM 1571 OD1 ASN A 102 -16.455 3.520 -5.842 1.00 0.91 O ATOM 1572 ND2 ASN A 102 -16.297 5.586 -5.169 1.00 1.66 N ATOM 0 H ASN A 102 -11.974 4.185 -5.396 1.00 0.24 H new ATOM 0 HA ASN A 102 -14.334 2.532 -5.397 1.00 0.29 H new ATOM 0 HB2 ASN A 102 -13.747 5.238 -5.512 1.00 0.43 H new ATOM 0 HB3 ASN A 102 -14.236 4.923 -7.165 1.00 0.43 H new ATOM 0 HD21 ASN A 102 -17.272 5.583 -4.870 1.00 1.66 H new ATOM 0 HD22 ASN A 102 -15.730 6.425 -5.050 1.00 1.66 H new ATOM 1579 N GLU A 103 -12.466 2.433 -7.969 1.00 0.24 N ATOM 1580 CA GLU A 103 -12.293 1.846 -9.324 1.00 0.30 C ATOM 1581 C GLU A 103 -12.383 0.316 -9.263 1.00 0.27 C ATOM 1582 O GLU A 103 -13.057 -0.298 -10.066 1.00 0.34 O ATOM 1583 CB GLU A 103 -10.920 2.251 -9.867 1.00 0.31 C ATOM 1584 CG GLU A 103 -10.963 2.260 -11.396 1.00 0.43 C ATOM 1585 CD GLU A 103 -9.552 2.503 -11.938 1.00 0.91 C ATOM 1586 OE1 GLU A 103 -9.208 3.668 -12.050 1.00 1.35 O ATOM 1587 OE2 GLU A 103 -8.899 1.510 -12.211 1.00 1.96 O ATOM 0 H GLU A 103 -11.606 2.739 -7.515 1.00 0.24 H new ATOM 0 HA GLU A 103 -13.083 2.216 -9.977 1.00 0.30 H new ATOM 0 HB2 GLU A 103 -10.645 3.238 -9.494 1.00 0.31 H new ATOM 0 HB3 GLU A 103 -10.158 1.554 -9.517 1.00 0.31 H new ATOM 0 HG2 GLU A 103 -11.349 1.310 -11.766 1.00 0.43 H new ATOM 0 HG3 GLU A 103 -11.640 3.038 -11.748 1.00 0.43 H new ATOM 1594 N LEU A 104 -11.701 -0.266 -8.306 1.00 0.21 N ATOM 1595 CA LEU A 104 -11.728 -1.759 -8.191 1.00 0.25 C ATOM 1596 C LEU A 104 -12.707 -2.211 -7.097 1.00 0.28 C ATOM 1597 O LEU A 104 -12.948 -3.391 -6.931 1.00 0.43 O ATOM 1598 CB LEU A 104 -10.324 -2.263 -7.845 1.00 0.23 C ATOM 1599 CG LEU A 104 -9.287 -1.574 -8.743 1.00 0.21 C ATOM 1600 CD1 LEU A 104 -7.926 -2.250 -8.549 1.00 0.20 C ATOM 1601 CD2 LEU A 104 -9.706 -1.712 -10.209 1.00 0.32 C ATOM 0 H LEU A 104 -11.135 0.219 -7.609 1.00 0.21 H new ATOM 0 HA LEU A 104 -12.057 -2.172 -9.144 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -10.103 -2.060 -6.797 1.00 0.23 H new ATOM 0 HB3 LEU A 104 -10.273 -3.344 -7.978 1.00 0.23 H new ATOM 0 HG LEU A 104 -9.222 -0.519 -8.478 1.00 0.21 H new ATOM 0 HD11 LEU A 104 -7.185 -1.765 -9.184 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.622 -2.163 -7.506 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.001 -3.303 -8.819 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -8.969 -1.222 -10.846 1.00 0.32 H new ATOM 0 HD22 LEU A 104 -9.768 -2.768 -10.472 1.00 0.32 H new ATOM 0 HD23 LEU A 104 -10.680 -1.244 -10.355 1.00 0.32 H new ATOM 1613 N VAL A 105 -13.254 -1.271 -6.374 1.00 0.16 N ATOM 1614 CA VAL A 105 -14.212 -1.654 -5.289 1.00 0.20 C ATOM 1615 C VAL A 105 -15.230 -2.667 -5.819 1.00 0.31 C ATOM 1616 O VAL A 105 -15.564 -3.552 -5.049 1.00 0.92 O ATOM 1617 CB VAL A 105 -14.946 -0.407 -4.794 1.00 0.13 C ATOM 1618 CG1 VAL A 105 -15.900 0.085 -5.886 1.00 0.18 C ATOM 1619 CG2 VAL A 105 -15.755 -0.760 -3.541 1.00 0.27 C ATOM 1620 OXT VAL A 105 -15.616 -2.498 -6.964 1.00 1.49 O ATOM 0 H VAL A 105 -13.085 -0.271 -6.482 1.00 0.16 H new ATOM 0 HA VAL A 105 -13.656 -2.105 -4.467 1.00 0.20 H new ATOM 0 HB VAL A 105 -14.223 0.374 -4.558 1.00 0.13 H new ATOM 0 HG11 VAL A 105 -16.425 0.974 -5.537 1.00 0.18 H new ATOM 0 HG12 VAL A 105 -15.331 0.329 -6.783 1.00 0.18 H new ATOM 0 HG13 VAL A 105 -16.624 -0.697 -6.116 1.00 0.18 H new ATOM 0 HG21 VAL A 105 -16.280 0.127 -3.185 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.479 -1.538 -3.783 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -15.082 -1.120 -2.763 1.00 0.27 H new