USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot -5:sc= 0.891 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -3.29! C(o=-3.2!,f=-4.6!) USER MOD Set 2.2: A 100 THR OG1 : rot 48:sc= 0.0476 USER MOD Set 3.1: A 52 HIS : no HE2:sc= -1.01 K(o=-0.9,f=-6.2!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.115 USER MOD Set 4.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -4.15 X(o=-4.1,f=-4.5!) USER MOD Set 4.3: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 51 GLN : amide:sc= -0.676 K(o=-2,f=-4.6) USER MOD Set 5.2: A 59 MET CE :methyl -167:sc= -0.127 (180deg=-0.00245) USER MOD Set 5.3: A 61 ASN : amide:sc= -1.15 K(o=-2,f=-9.7!) USER MOD Set 6.1: A 50 SER OG : rot -19:sc= 0.948 USER MOD Set 6.2: A 60 THR OG1 : rot 33:sc= 0.185 USER MOD Set 7.1: A 10 SER OG : rot 180:sc= 0.0822 USER MOD Set 7.2: A 124 LYS NZ :NH3+ 170:sc= 0.082 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.187 (180deg=-1.37!) USER MOD Single : A 3 THR OG1 : rot 13:sc= 0.642 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 173:sc= -0.262 (180deg=-0.354) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0.00132 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 20:sc= 0.943 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= 0.439 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.8!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -56:sc= 0.231 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -18:sc= 0.174 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 14:sc= 1.13 USER MOD Single : A 70 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.013) USER MOD Single : A 72 GLN : amide:sc= 0.187 K(o=0.19,f=-1.9!) USER MOD Single : A 73 THR OG1 : rot -65:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl -179:sc= 0 (180deg=-0.000113) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.28) USER MOD Single : A 96 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 97 TYR OH : rot 70:sc= 0.174 USER MOD Single : A 99 GLN : amide:sc= -3.94! C(o=-3.9!,f=-10!) USER MOD Single : A 101 SER OG : rot 22:sc= 0.415 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -143:sc= 1.37 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0494 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.139 10.446 12.515 1.00 0.00 N ATOM 2 CA ALA A 1 1.067 9.681 12.241 1.00 0.00 C ATOM 3 C ALA A 1 0.709 8.318 11.696 1.00 0.00 C ATOM 4 O ALA A 1 -0.455 7.959 11.761 1.00 0.00 O ATOM 5 CB ALA A 1 1.899 9.536 13.540 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.168 11.281 11.896 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.974 9.853 12.336 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.138 10.752 13.509 1.00 0.00 H new ATOM 0 HA ALA A 1 1.661 10.208 11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.802 8.962 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.174 10.524 13.908 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.307 9.019 14.295 1.00 0.00 H new ATOM 11 N PHE A 2 1.694 7.563 11.152 1.00 0.00 N ATOM 12 CA PHE A 2 1.421 6.219 10.635 1.00 0.00 C ATOM 13 C PHE A 2 0.939 5.290 11.725 1.00 0.00 C ATOM 14 O PHE A 2 1.692 4.440 12.171 1.00 0.00 O ATOM 15 CB PHE A 2 2.665 5.614 9.933 1.00 0.00 C ATOM 16 CG PHE A 2 2.874 6.308 8.585 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.069 5.954 7.498 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.858 7.291 8.436 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.238 6.594 6.269 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.039 7.918 7.201 1.00 0.00 C ATOM 21 CZ PHE A 2 3.241 7.550 6.115 1.00 0.00 C ATOM 0 H PHE A 2 2.665 7.863 11.065 1.00 0.00 H new ATOM 0 HA PHE A 2 0.626 6.323 9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.548 5.740 10.560 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.528 4.543 9.786 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.317 5.186 7.609 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.478 7.565 9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.593 6.349 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.792 8.684 7.086 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.402 8.009 5.151 1.00 0.00 H new ATOM 31 N THR A 3 -0.330 5.421 12.165 1.00 0.00 N ATOM 32 CA THR A 3 -0.858 4.517 13.182 1.00 0.00 C ATOM 33 C THR A 3 -2.361 4.677 13.175 1.00 0.00 C ATOM 34 O THR A 3 -2.813 5.766 13.493 1.00 0.00 O ATOM 35 CB THR A 3 -0.316 4.859 14.603 1.00 0.00 C ATOM 36 OG1 THR A 3 1.092 4.596 14.736 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.028 4.023 15.698 1.00 0.00 C ATOM 0 H THR A 3 -0.986 6.129 11.836 1.00 0.00 H new ATOM 0 HA THR A 3 -0.550 3.496 12.955 1.00 0.00 H new ATOM 0 HB THR A 3 -0.511 5.924 14.731 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.481 4.441 13.850 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.626 4.287 16.676 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.098 4.232 15.677 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.862 2.962 15.511 1.00 0.00 H new ATOM 45 N GLY A 4 -3.151 3.640 12.818 1.00 0.00 N ATOM 46 CA GLY A 4 -4.599 3.803 12.823 1.00 0.00 C ATOM 47 C GLY A 4 -5.260 2.801 11.916 1.00 0.00 C ATOM 48 O GLY A 4 -4.561 2.105 11.196 1.00 0.00 O ATOM 0 H GLY A 4 -2.816 2.719 12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.978 3.685 13.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.856 4.813 12.503 1.00 0.00 H new ATOM 52 N LYS A 5 -6.610 2.737 11.943 1.00 0.00 N ATOM 53 CA LYS A 5 -7.332 1.870 11.014 1.00 0.00 C ATOM 54 C LYS A 5 -7.601 2.644 9.749 1.00 0.00 C ATOM 55 O LYS A 5 -7.562 3.860 9.799 1.00 0.00 O ATOM 56 CB LYS A 5 -8.648 1.323 11.636 1.00 0.00 C ATOM 57 CG LYS A 5 -9.764 2.403 11.696 1.00 0.00 C ATOM 58 CD LYS A 5 -10.821 2.141 12.804 1.00 0.00 C ATOM 59 CE LYS A 5 -11.666 0.868 12.535 1.00 0.00 C ATOM 60 NZ LYS A 5 -12.650 0.630 13.615 1.00 0.00 N ATOM 0 H LYS A 5 -7.201 3.265 12.585 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.719 0.998 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.999 0.473 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.447 0.955 12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.306 3.378 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.266 2.449 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.317 2.041 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.484 3.003 12.880 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.187 0.971 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.007 0.005 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.197 -0.228 13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.151 0.508 14.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.294 1.443 13.683 1.00 0.00 H new ATOM 74 N PHE A 6 -7.874 1.977 8.608 1.00 0.00 N ATOM 75 CA PHE A 6 -8.201 2.703 7.382 1.00 0.00 C ATOM 76 C PHE A 6 -8.911 1.805 6.396 1.00 0.00 C ATOM 77 O PHE A 6 -8.929 0.612 6.653 1.00 0.00 O ATOM 78 CB PHE A 6 -6.928 3.258 6.685 1.00 0.00 C ATOM 79 CG PHE A 6 -6.035 4.105 7.595 1.00 0.00 C ATOM 80 CD1 PHE A 6 -6.225 5.489 7.691 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.011 3.496 8.327 1.00 0.00 C ATOM 82 CE1 PHE A 6 -5.437 6.250 8.558 1.00 0.00 C ATOM 83 CE2 PHE A 6 -4.183 4.268 9.147 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.418 5.638 9.293 1.00 0.00 C ATOM 0 H PHE A 6 -7.873 0.961 8.518 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.847 3.530 7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.345 2.422 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.230 3.860 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.984 5.970 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.860 2.429 8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.615 7.310 8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.359 3.804 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.814 6.222 9.972 1.00 0.00 H new ATOM 94 N GLU A 7 -9.470 2.312 5.267 1.00 0.00 N ATOM 95 CA GLU A 7 -9.904 1.385 4.216 1.00 0.00 C ATOM 96 C GLU A 7 -9.885 2.036 2.857 1.00 0.00 C ATOM 97 O GLU A 7 -10.139 3.227 2.785 1.00 0.00 O ATOM 98 CB GLU A 7 -11.302 0.762 4.463 1.00 0.00 C ATOM 99 CG GLU A 7 -12.439 1.795 4.252 1.00 0.00 C ATOM 100 CD GLU A 7 -13.745 1.308 4.825 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.993 0.072 4.791 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.538 2.158 5.313 1.00 0.00 O ATOM 0 H GLU A 7 -9.621 3.302 5.075 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.177 0.574 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.448 -0.082 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.351 0.370 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.165 2.740 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.559 1.992 3.187 1.00 0.00 H new ATOM 109 N MET A 8 -9.597 1.264 1.782 1.00 0.00 N ATOM 110 CA MET A 8 -9.494 1.853 0.451 1.00 0.00 C ATOM 111 C MET A 8 -10.857 2.391 0.093 1.00 0.00 C ATOM 112 O MET A 8 -11.829 1.773 0.496 1.00 0.00 O ATOM 113 CB MET A 8 -9.039 0.810 -0.613 1.00 0.00 C ATOM 114 CG MET A 8 -8.453 1.448 -1.910 1.00 0.00 C ATOM 115 SD MET A 8 -9.238 0.779 -3.413 1.00 0.00 S ATOM 116 CE MET A 8 -10.804 1.698 -3.345 1.00 0.00 C ATOM 0 H MET A 8 -9.437 0.257 1.820 1.00 0.00 H new ATOM 0 HA MET A 8 -8.742 2.642 0.460 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.288 0.156 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.889 0.183 -0.880 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.593 2.529 -1.878 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.379 1.267 -1.950 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.373 1.515 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.383 1.367 -2.483 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.597 2.764 -3.255 1.00 0.00 H new ATOM 126 N GLU A 9 -10.967 3.515 -0.650 1.00 0.00 N ATOM 127 CA GLU A 9 -12.288 4.002 -1.047 1.00 0.00 C ATOM 128 C GLU A 9 -12.179 4.772 -2.345 1.00 0.00 C ATOM 129 O GLU A 9 -12.783 4.346 -3.317 1.00 0.00 O ATOM 130 CB GLU A 9 -12.911 4.828 0.105 1.00 0.00 C ATOM 131 CG GLU A 9 -14.353 5.293 -0.227 1.00 0.00 C ATOM 132 CD GLU A 9 -14.960 6.011 0.952 1.00 0.00 C ATOM 133 OE1 GLU A 9 -15.083 5.377 2.035 1.00 0.00 O ATOM 134 OE2 GLU A 9 -15.322 7.211 0.808 1.00 0.00 O ATOM 0 H GLU A 9 -10.181 4.079 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.963 3.166 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.924 4.228 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.287 5.699 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.338 5.953 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.967 4.432 -0.492 1.00 0.00 H new ATOM 141 N SER A 10 -11.405 5.884 -2.399 1.00 0.00 N ATOM 142 CA SER A 10 -11.149 6.531 -3.683 1.00 0.00 C ATOM 143 C SER A 10 -9.953 5.849 -4.308 1.00 0.00 C ATOM 144 O SER A 10 -9.216 5.173 -3.607 1.00 0.00 O ATOM 145 CB SER A 10 -10.905 8.056 -3.544 1.00 0.00 C ATOM 146 OG SER A 10 -11.929 8.663 -2.739 1.00 0.00 O ATOM 0 H SER A 10 -10.967 6.329 -1.593 1.00 0.00 H new ATOM 0 HA SER A 10 -12.030 6.429 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.928 8.233 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.890 8.518 -4.531 1.00 0.00 H new ATOM 0 HG SER A 10 -11.757 9.625 -2.661 1.00 0.00 H new ATOM 152 N GLU A 11 -9.763 6.011 -5.635 1.00 0.00 N ATOM 153 CA GLU A 11 -8.729 5.257 -6.348 1.00 0.00 C ATOM 154 C GLU A 11 -8.635 5.850 -7.740 1.00 0.00 C ATOM 155 O GLU A 11 -9.672 6.266 -8.233 1.00 0.00 O ATOM 156 CB GLU A 11 -9.195 3.766 -6.385 1.00 0.00 C ATOM 157 CG GLU A 11 -8.671 2.903 -7.561 1.00 0.00 C ATOM 158 CD GLU A 11 -9.508 1.666 -7.765 1.00 0.00 C ATOM 159 OE1 GLU A 11 -9.205 0.621 -7.126 1.00 0.00 O ATOM 160 OE2 GLU A 11 -10.473 1.735 -8.574 1.00 0.00 O ATOM 0 H GLU A 11 -10.305 6.647 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.749 5.307 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.891 3.291 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.285 3.750 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.671 3.496 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.638 2.615 -7.368 1.00 0.00 H new ATOM 167 N LYS A 12 -7.452 5.901 -8.398 1.00 0.00 N ATOM 168 CA LYS A 12 -7.389 6.470 -9.746 1.00 0.00 C ATOM 169 C LYS A 12 -6.149 6.005 -10.476 1.00 0.00 C ATOM 170 O LYS A 12 -5.218 5.590 -9.807 1.00 0.00 O ATOM 171 CB LYS A 12 -7.446 8.020 -9.672 1.00 0.00 C ATOM 172 CG LYS A 12 -6.230 8.613 -8.905 1.00 0.00 C ATOM 173 CD LYS A 12 -6.230 10.169 -8.881 1.00 0.00 C ATOM 174 CE LYS A 12 -7.312 10.769 -7.941 1.00 0.00 C ATOM 175 NZ LYS A 12 -7.173 12.240 -7.830 1.00 0.00 N ATOM 0 H LYS A 12 -6.564 5.566 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.252 6.118 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.473 8.430 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.369 8.326 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.235 8.239 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.308 8.262 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.248 10.521 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.391 10.541 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.304 10.523 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.228 10.318 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.045 12.642 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.371 12.467 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.005 12.645 -8.773 1.00 0.00 H new ATOM 189 N ASN A 13 -6.107 6.049 -11.830 1.00 0.00 N ATOM 190 CA ASN A 13 -4.929 5.557 -12.551 1.00 0.00 C ATOM 191 C ASN A 13 -4.506 4.177 -12.085 1.00 0.00 C ATOM 192 O ASN A 13 -3.338 3.838 -12.188 1.00 0.00 O ATOM 193 CB ASN A 13 -3.783 6.600 -12.431 1.00 0.00 C ATOM 194 CG ASN A 13 -4.082 7.824 -13.264 1.00 0.00 C ATOM 195 OD1 ASN A 13 -3.570 7.924 -14.369 1.00 0.00 O ATOM 196 ND2 ASN A 13 -4.909 8.772 -12.773 1.00 0.00 N ATOM 0 H ASN A 13 -6.855 6.410 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.185 5.441 -13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.655 6.887 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.843 6.154 -12.757 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.122 9.601 -13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.321 8.659 -11.847 1.00 0.00 H new ATOM 203 N TYR A 14 -5.444 3.355 -11.563 1.00 0.00 N ATOM 204 CA TYR A 14 -5.069 2.076 -10.973 1.00 0.00 C ATOM 205 C TYR A 14 -5.081 0.987 -12.023 1.00 0.00 C ATOM 206 O TYR A 14 -4.184 0.161 -12.029 1.00 0.00 O ATOM 207 CB TYR A 14 -6.040 1.774 -9.798 1.00 0.00 C ATOM 208 CG TYR A 14 -7.169 0.825 -10.215 1.00 0.00 C ATOM 209 CD1 TYR A 14 -6.963 -0.554 -10.111 1.00 0.00 C ATOM 210 CD2 TYR A 14 -8.382 1.307 -10.714 1.00 0.00 C ATOM 211 CE1 TYR A 14 -7.944 -1.450 -10.537 1.00 0.00 C ATOM 212 CE2 TYR A 14 -9.362 0.408 -11.143 1.00 0.00 C ATOM 213 CZ TYR A 14 -9.150 -0.971 -11.055 1.00 0.00 C ATOM 214 OH TYR A 14 -10.146 -1.845 -11.492 1.00 0.00 O ATOM 0 H TYR A 14 -6.443 3.559 -11.543 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.053 2.118 -10.582 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.483 1.333 -8.971 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.468 2.707 -9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.038 -0.928 -9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.561 2.371 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.771 -2.514 -10.466 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.292 0.782 -11.546 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.007 -2.727 -11.088 1.00 0.00 H new ATOM 224 N ASP A 15 -6.095 0.957 -12.919 1.00 0.00 N ATOM 225 CA ASP A 15 -6.168 -0.113 -13.910 1.00 0.00 C ATOM 226 C ASP A 15 -4.864 -0.220 -14.662 1.00 0.00 C ATOM 227 O ASP A 15 -4.271 -1.287 -14.682 1.00 0.00 O ATOM 228 CB ASP A 15 -7.302 0.125 -14.943 1.00 0.00 C ATOM 229 CG ASP A 15 -8.656 -0.040 -14.303 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.067 -1.209 -14.071 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.319 0.997 -14.029 1.00 0.00 O ATOM 0 H ASP A 15 -6.847 1.644 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.375 -1.033 -13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.213 1.127 -15.362 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.199 -0.577 -15.771 1.00 0.00 H new ATOM 236 N GLU A 16 -4.407 0.885 -15.291 1.00 0.00 N ATOM 237 CA GLU A 16 -3.168 0.822 -16.056 1.00 0.00 C ATOM 238 C GLU A 16 -2.031 0.480 -15.124 1.00 0.00 C ATOM 239 O GLU A 16 -1.275 -0.427 -15.425 1.00 0.00 O ATOM 240 CB GLU A 16 -2.825 2.139 -16.804 1.00 0.00 C ATOM 241 CG GLU A 16 -3.930 2.548 -17.812 1.00 0.00 C ATOM 242 CD GLU A 16 -3.426 3.657 -18.701 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.342 4.817 -18.212 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.108 3.380 -19.889 1.00 0.00 O ATOM 0 H GLU A 16 -4.867 1.795 -15.280 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.311 0.056 -16.818 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.684 2.940 -16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.880 2.018 -17.334 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.220 1.688 -18.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.821 2.876 -17.276 1.00 0.00 H new ATOM 251 N PHE A 17 -1.877 1.164 -13.970 1.00 0.00 N ATOM 252 CA PHE A 17 -0.798 0.775 -13.063 1.00 0.00 C ATOM 253 C PHE A 17 -0.751 -0.720 -12.873 1.00 0.00 C ATOM 254 O PHE A 17 0.336 -1.265 -12.799 1.00 0.00 O ATOM 255 CB PHE A 17 -1.008 1.359 -11.649 1.00 0.00 C ATOM 256 CG PHE A 17 0.145 0.957 -10.721 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.384 1.570 -10.920 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.037 0.042 -9.681 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.451 1.249 -10.083 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.014 -0.207 -8.798 1.00 0.00 C ATOM 261 CZ PHE A 17 2.283 0.316 -9.060 1.00 0.00 C ATOM 0 H PHE A 17 -2.456 1.946 -13.663 1.00 0.00 H new ATOM 0 HA PHE A 17 0.117 1.152 -13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.075 2.446 -11.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.953 1.002 -11.239 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.514 2.287 -11.717 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.982 -0.467 -9.562 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.410 1.724 -10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.847 -0.803 -7.913 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.131 -0.001 -8.472 1.00 0.00 H new ATOM 271 N MET A 18 -1.924 -1.383 -12.791 1.00 0.00 N ATOM 272 CA MET A 18 -1.947 -2.815 -12.530 1.00 0.00 C ATOM 273 C MET A 18 -1.626 -3.571 -13.798 1.00 0.00 C ATOM 274 O MET A 18 -0.977 -4.602 -13.703 1.00 0.00 O ATOM 275 CB MET A 18 -3.302 -3.245 -11.908 1.00 0.00 C ATOM 276 CG MET A 18 -3.437 -2.756 -10.442 1.00 0.00 C ATOM 277 SD MET A 18 -4.862 -3.561 -9.643 1.00 0.00 S ATOM 278 CE MET A 18 -4.530 -3.057 -7.925 1.00 0.00 C ATOM 0 H MET A 18 -2.841 -0.951 -12.901 1.00 0.00 H new ATOM 0 HA MET A 18 -1.180 -3.060 -11.795 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.121 -2.842 -12.504 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.389 -4.331 -11.940 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.525 -2.982 -9.890 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.562 -1.673 -10.422 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.305 -3.458 -7.272 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.559 -3.441 -7.614 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.528 -1.969 -7.859 1.00 0.00 H new ATOM 288 N LYS A 19 -2.047 -3.090 -14.991 1.00 0.00 N ATOM 289 CA LYS A 19 -1.685 -3.794 -16.220 1.00 0.00 C ATOM 290 C LYS A 19 -0.176 -3.743 -16.386 1.00 0.00 C ATOM 291 O LYS A 19 0.396 -4.740 -16.798 1.00 0.00 O ATOM 292 CB LYS A 19 -2.487 -3.294 -17.464 1.00 0.00 C ATOM 293 CG LYS A 19 -1.795 -2.150 -18.248 1.00 0.00 C ATOM 294 CD LYS A 19 -2.661 -1.543 -19.389 1.00 0.00 C ATOM 295 CE LYS A 19 -2.940 -2.531 -20.555 1.00 0.00 C ATOM 296 NZ LYS A 19 -3.629 -1.856 -21.679 1.00 0.00 N ATOM 0 H LYS A 19 -2.614 -2.252 -15.117 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.976 -4.841 -16.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.651 -4.134 -18.139 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.469 -2.953 -17.136 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.527 -1.357 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.866 -2.527 -18.674 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.611 -1.208 -18.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.158 -0.661 -19.785 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.000 -2.958 -20.905 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.551 -3.358 -20.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.802 -2.541 -22.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.536 -1.470 -21.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.033 -1.082 -22.037 1.00 0.00 H new ATOM 310 N LEU A 20 0.496 -2.610 -16.057 1.00 0.00 N ATOM 311 CA LEU A 20 1.962 -2.573 -16.110 1.00 0.00 C ATOM 312 C LEU A 20 2.502 -3.471 -15.015 1.00 0.00 C ATOM 313 O LEU A 20 3.361 -4.296 -15.285 1.00 0.00 O ATOM 314 CB LEU A 20 2.580 -1.156 -15.873 1.00 0.00 C ATOM 315 CG LEU A 20 2.621 -0.181 -17.092 1.00 0.00 C ATOM 316 CD1 LEU A 20 3.583 -0.658 -18.218 1.00 0.00 C ATOM 317 CD2 LEU A 20 1.214 0.105 -17.674 1.00 0.00 C ATOM 0 H LEU A 20 0.053 -1.740 -15.762 1.00 0.00 H new ATOM 0 HA LEU A 20 2.236 -2.892 -17.116 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.019 -0.673 -15.073 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.600 -1.289 -15.512 1.00 0.00 H new ATOM 0 HG LEU A 20 3.017 0.753 -16.693 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.568 0.060 -19.038 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.596 -0.737 -17.822 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.260 -1.633 -18.584 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.302 0.788 -18.519 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.762 -0.829 -18.008 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.587 0.557 -16.905 1.00 0.00 H new ATOM 329 N LEU A 21 2.018 -3.298 -13.765 1.00 0.00 N ATOM 330 CA LEU A 21 2.591 -4.019 -12.625 1.00 0.00 C ATOM 331 C LEU A 21 2.607 -5.511 -12.881 1.00 0.00 C ATOM 332 O LEU A 21 3.585 -6.153 -12.531 1.00 0.00 O ATOM 333 CB LEU A 21 1.777 -3.694 -11.341 1.00 0.00 C ATOM 334 CG LEU A 21 2.367 -4.194 -9.994 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.664 -3.417 -9.636 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.336 -3.951 -8.858 1.00 0.00 C ATOM 0 H LEU A 21 1.245 -2.675 -13.530 1.00 0.00 H new ATOM 0 HA LEU A 21 3.622 -3.694 -12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.657 -2.612 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.780 -4.119 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 21 2.594 -5.255 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.059 -3.785 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.406 -3.566 -10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.439 -2.354 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.748 -4.301 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.118 -2.885 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.418 -4.496 -9.078 1.00 0.00 H new ATOM 348 N GLY A 22 1.535 -6.065 -13.496 1.00 0.00 N ATOM 349 CA GLY A 22 1.486 -7.493 -13.810 1.00 0.00 C ATOM 350 C GLY A 22 0.501 -8.154 -12.877 1.00 0.00 C ATOM 351 O GLY A 22 0.929 -8.833 -11.957 1.00 0.00 O ATOM 0 H GLY A 22 0.706 -5.542 -13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.185 -7.643 -14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.474 -7.940 -13.697 1.00 0.00 H new ATOM 355 N ILE A 23 -0.818 -7.935 -13.103 1.00 0.00 N ATOM 356 CA ILE A 23 -1.852 -8.420 -12.185 1.00 0.00 C ATOM 357 C ILE A 23 -2.955 -9.075 -12.989 1.00 0.00 C ATOM 358 O ILE A 23 -3.042 -8.789 -14.173 1.00 0.00 O ATOM 359 CB ILE A 23 -2.371 -7.180 -11.405 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.243 -6.427 -10.642 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.554 -7.494 -10.458 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.625 -7.218 -9.456 1.00 0.00 C ATOM 0 H ILE A 23 -1.179 -7.428 -13.911 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.471 -9.163 -11.485 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.751 -6.513 -12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.450 -6.176 -11.347 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.643 -5.486 -10.265 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.863 -6.582 -9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.390 -7.887 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.244 -8.235 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.152 -6.617 -8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.402 -7.446 -8.726 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.191 -8.147 -9.825 1.00 0.00 H new ATOM 374 N SER A 24 -3.786 -9.958 -12.380 1.00 0.00 N ATOM 375 CA SER A 24 -4.775 -10.709 -13.158 1.00 0.00 C ATOM 376 C SER A 24 -6.101 -9.983 -13.225 1.00 0.00 C ATOM 377 O SER A 24 -6.499 -9.404 -12.229 1.00 0.00 O ATOM 378 CB SER A 24 -4.958 -12.140 -12.586 1.00 0.00 C ATOM 379 OG SER A 24 -5.737 -12.979 -13.455 1.00 0.00 O ATOM 0 H SER A 24 -3.785 -10.157 -11.380 1.00 0.00 H new ATOM 0 HA SER A 24 -4.395 -10.793 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.980 -12.594 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.443 -12.080 -11.612 1.00 0.00 H new ATOM 0 HG SER A 24 -5.825 -13.870 -13.057 1.00 0.00 H new ATOM 385 N SER A 25 -6.794 -10.000 -14.391 1.00 0.00 N ATOM 386 CA SER A 25 -7.977 -9.160 -14.575 1.00 0.00 C ATOM 387 C SER A 25 -9.010 -9.291 -13.480 1.00 0.00 C ATOM 388 O SER A 25 -9.627 -8.290 -13.151 1.00 0.00 O ATOM 389 CB SER A 25 -8.660 -9.446 -15.942 1.00 0.00 C ATOM 390 OG SER A 25 -9.016 -10.831 -16.084 1.00 0.00 O ATOM 0 H SER A 25 -6.551 -10.578 -15.196 1.00 0.00 H new ATOM 0 HA SER A 25 -7.597 -8.139 -14.540 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.554 -8.830 -16.037 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.988 -9.159 -16.751 1.00 0.00 H new ATOM 0 HG SER A 25 -9.444 -10.971 -16.954 1.00 0.00 H new ATOM 396 N ASP A 26 -9.235 -10.493 -12.903 1.00 0.00 N ATOM 397 CA ASP A 26 -10.290 -10.617 -11.902 1.00 0.00 C ATOM 398 C ASP A 26 -9.971 -9.710 -10.738 1.00 0.00 C ATOM 399 O ASP A 26 -10.848 -8.981 -10.303 1.00 0.00 O ATOM 400 CB ASP A 26 -10.478 -12.076 -11.400 1.00 0.00 C ATOM 401 CG ASP A 26 -9.244 -12.625 -10.730 1.00 0.00 C ATOM 402 OD1 ASP A 26 -8.129 -12.430 -11.285 1.00 0.00 O ATOM 403 OD2 ASP A 26 -9.374 -13.253 -9.644 1.00 0.00 O ATOM 0 H ASP A 26 -8.720 -11.349 -13.108 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.229 -10.325 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.312 -12.110 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.743 -12.714 -12.243 1.00 0.00 H new ATOM 408 N VAL A 27 -8.716 -9.746 -10.235 1.00 0.00 N ATOM 409 CA VAL A 27 -8.356 -8.918 -9.088 1.00 0.00 C ATOM 410 C VAL A 27 -8.176 -7.468 -9.494 1.00 0.00 C ATOM 411 O VAL A 27 -8.318 -6.622 -8.625 1.00 0.00 O ATOM 412 CB VAL A 27 -7.178 -9.469 -8.223 1.00 0.00 C ATOM 413 CG1 VAL A 27 -7.639 -10.670 -7.350 1.00 0.00 C ATOM 414 CG2 VAL A 27 -5.937 -9.884 -9.051 1.00 0.00 C ATOM 0 H VAL A 27 -7.962 -10.327 -10.601 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.207 -8.967 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.877 -8.638 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.799 -11.033 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.440 -10.349 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.002 -11.470 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.161 -10.256 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.215 -10.668 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.560 -9.021 -9.599 1.00 0.00 H new ATOM 424 N ILE A 28 -7.900 -7.127 -10.777 1.00 0.00 N ATOM 425 CA ILE A 28 -7.908 -5.715 -11.163 1.00 0.00 C ATOM 426 C ILE A 28 -9.328 -5.225 -10.967 1.00 0.00 C ATOM 427 O ILE A 28 -9.549 -4.291 -10.212 1.00 0.00 O ATOM 428 CB ILE A 28 -7.422 -5.460 -12.627 1.00 0.00 C ATOM 429 CG1 ILE A 28 -5.970 -5.994 -12.811 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.506 -3.951 -12.995 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.364 -5.775 -14.218 1.00 0.00 C ATOM 0 H ILE A 28 -7.680 -7.785 -11.525 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.198 -5.169 -10.542 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.083 -6.001 -13.305 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.326 -5.511 -12.076 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.961 -7.061 -12.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.161 -3.806 -14.019 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.538 -3.612 -12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.877 -3.375 -12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.353 -6.180 -14.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.979 -6.282 -14.962 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.333 -4.708 -14.439 1.00 0.00 H new ATOM 443 N GLU A 29 -10.319 -5.855 -11.635 1.00 0.00 N ATOM 444 CA GLU A 29 -11.699 -5.391 -11.503 1.00 0.00 C ATOM 445 C GLU A 29 -12.123 -5.396 -10.050 1.00 0.00 C ATOM 446 O GLU A 29 -12.909 -4.545 -9.664 1.00 0.00 O ATOM 447 CB GLU A 29 -12.695 -6.275 -12.307 1.00 0.00 C ATOM 448 CG GLU A 29 -12.481 -6.193 -13.844 1.00 0.00 C ATOM 449 CD GLU A 29 -12.614 -4.774 -14.335 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.771 -4.278 -14.416 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.566 -4.141 -14.638 1.00 0.00 O ATOM 0 H GLU A 29 -10.188 -6.659 -12.249 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.726 -4.378 -11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.591 -7.312 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.714 -5.969 -12.071 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.493 -6.578 -14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.210 -6.826 -14.350 1.00 0.00 H new ATOM 458 N LYS A 30 -11.619 -6.347 -9.231 1.00 0.00 N ATOM 459 CA LYS A 30 -12.064 -6.420 -7.839 1.00 0.00 C ATOM 460 C LYS A 30 -11.582 -5.170 -7.132 1.00 0.00 C ATOM 461 O LYS A 30 -12.390 -4.485 -6.525 1.00 0.00 O ATOM 462 CB LYS A 30 -11.551 -7.732 -7.171 1.00 0.00 C ATOM 463 CG LYS A 30 -12.346 -8.177 -5.916 1.00 0.00 C ATOM 464 CD LYS A 30 -11.671 -9.355 -5.154 1.00 0.00 C ATOM 465 CE LYS A 30 -11.610 -10.675 -5.973 1.00 0.00 C ATOM 466 NZ LYS A 30 -11.058 -11.785 -5.161 1.00 0.00 N ATOM 0 H LYS A 30 -10.929 -7.047 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.151 -6.458 -7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.583 -8.535 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.506 -7.597 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.453 -7.328 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.351 -8.474 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.658 -9.063 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.216 -9.537 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.609 -10.937 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.993 -10.528 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.029 -12.653 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.095 -11.543 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.662 -11.939 -4.328 1.00 0.00 H new ATOM 480 N ALA A 31 -10.268 -4.854 -7.233 1.00 0.00 N ATOM 481 CA ALA A 31 -9.710 -3.675 -6.566 1.00 0.00 C ATOM 482 C ALA A 31 -10.662 -2.502 -6.610 1.00 0.00 C ATOM 483 O ALA A 31 -10.842 -1.831 -5.605 1.00 0.00 O ATOM 484 CB ALA A 31 -8.408 -3.203 -7.263 1.00 0.00 C ATOM 0 H ALA A 31 -9.590 -5.398 -7.766 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.521 -3.979 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.016 -2.327 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.668 -4.003 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.623 -2.947 -8.300 1.00 0.00 H new ATOM 490 N ARG A 32 -11.276 -2.255 -7.789 1.00 0.00 N ATOM 491 CA ARG A 32 -12.188 -1.120 -7.908 1.00 0.00 C ATOM 492 C ARG A 32 -13.424 -1.363 -7.079 1.00 0.00 C ATOM 493 O ARG A 32 -13.795 -0.478 -6.323 1.00 0.00 O ATOM 494 CB ARG A 32 -12.538 -0.839 -9.393 1.00 0.00 C ATOM 495 CG ARG A 32 -13.584 0.293 -9.566 1.00 0.00 C ATOM 496 CD ARG A 32 -13.862 0.559 -11.070 1.00 0.00 C ATOM 497 NE ARG A 32 -14.789 1.684 -11.225 1.00 0.00 N ATOM 498 CZ ARG A 32 -14.435 2.952 -11.155 1.00 0.00 C ATOM 499 NH1 ARG A 32 -13.205 3.353 -10.918 1.00 0.00 N ATOM 500 NH2 ARG A 32 -15.360 3.871 -11.330 1.00 0.00 N ATOM 0 H ARG A 32 -11.157 -2.809 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.692 -0.228 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.628 -0.571 -9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.920 -1.752 -9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.511 0.018 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.222 1.205 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.927 0.776 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.283 -0.334 -11.533 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.772 1.472 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.463 2.667 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.993 4.350 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.324 3.595 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.113 4.859 -11.281 1.00 0.00 H new ATOM 514 N ASN A 33 -14.064 -2.550 -7.187 1.00 0.00 N ATOM 515 CA ASN A 33 -15.240 -2.839 -6.363 1.00 0.00 C ATOM 516 C ASN A 33 -14.819 -3.534 -5.084 1.00 0.00 C ATOM 517 O ASN A 33 -15.417 -4.536 -4.728 1.00 0.00 O ATOM 518 CB ASN A 33 -16.260 -3.652 -7.209 1.00 0.00 C ATOM 519 CG ASN A 33 -17.621 -3.722 -6.553 1.00 0.00 C ATOM 520 OD1 ASN A 33 -18.470 -2.906 -6.876 1.00 0.00 O ATOM 521 ND2 ASN A 33 -17.866 -4.676 -5.628 1.00 0.00 N ATOM 0 H ASN A 33 -13.789 -3.300 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.738 -1.920 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.357 -3.196 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.880 -4.662 -7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -18.780 -4.728 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.137 -5.344 -5.379 1.00 0.00 H new ATOM 528 N PHE A 34 -13.784 -3.023 -4.372 1.00 0.00 N ATOM 529 CA PHE A 34 -13.320 -3.663 -3.140 1.00 0.00 C ATOM 530 C PHE A 34 -12.697 -2.644 -2.213 1.00 0.00 C ATOM 531 O PHE A 34 -11.684 -2.071 -2.583 1.00 0.00 O ATOM 532 CB PHE A 34 -12.254 -4.673 -3.613 1.00 0.00 C ATOM 533 CG PHE A 34 -11.588 -5.597 -2.588 1.00 0.00 C ATOM 534 CD1 PHE A 34 -11.918 -5.618 -1.227 1.00 0.00 C ATOM 535 CD2 PHE A 34 -10.605 -6.468 -3.072 1.00 0.00 C ATOM 536 CE1 PHE A 34 -11.305 -6.537 -0.373 1.00 0.00 C ATOM 537 CE2 PHE A 34 -10.023 -7.418 -2.231 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.380 -7.449 -0.883 1.00 0.00 C ATOM 0 H PHE A 34 -13.269 -2.182 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.132 -4.135 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.715 -5.305 -4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.463 -4.108 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.647 -4.923 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.294 -6.405 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.546 -6.542 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.303 -8.122 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.937 -8.185 -0.228 1.00 0.00 H new ATOM 548 N LYS A 35 -13.276 -2.413 -1.011 1.00 0.00 N ATOM 549 CA LYS A 35 -12.663 -1.496 -0.056 1.00 0.00 C ATOM 550 C LYS A 35 -11.682 -2.290 0.781 1.00 0.00 C ATOM 551 O LYS A 35 -11.983 -2.574 1.930 1.00 0.00 O ATOM 552 CB LYS A 35 -13.766 -0.775 0.773 1.00 0.00 C ATOM 553 CG LYS A 35 -14.668 0.080 -0.166 1.00 0.00 C ATOM 554 CD LYS A 35 -15.848 0.792 0.554 1.00 0.00 C ATOM 555 CE LYS A 35 -15.379 1.788 1.647 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.479 2.657 2.124 1.00 0.00 N ATOM 0 H LYS A 35 -14.146 -2.843 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.108 -0.700 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.372 -1.510 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.306 -0.137 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.051 0.832 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.070 -0.563 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.447 1.326 -0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.495 0.042 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.967 1.232 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.575 2.408 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.160 3.647 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.297 2.563 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.754 2.373 3.086 1.00 0.00 H new ATOM 570 N ILE A 36 -10.500 -2.647 0.211 1.00 0.00 N ATOM 571 CA ILE A 36 -9.460 -3.346 0.978 1.00 0.00 C ATOM 572 C ILE A 36 -9.343 -2.645 2.309 1.00 0.00 C ATOM 573 O ILE A 36 -9.201 -1.434 2.283 1.00 0.00 O ATOM 574 CB ILE A 36 -8.068 -3.313 0.259 1.00 0.00 C ATOM 575 CG1 ILE A 36 -7.968 -4.339 -0.915 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.859 -3.455 1.231 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.591 -5.779 -0.472 1.00 0.00 C ATOM 0 H ILE A 36 -10.256 -2.461 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.741 -4.394 1.086 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.005 -2.314 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.924 -4.370 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.225 -3.985 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.929 -3.424 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.872 -2.636 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.928 -4.405 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.543 -6.428 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.620 -5.765 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.345 -6.156 0.219 1.00 0.00 H new ATOM 589 N VAL A 37 -9.398 -3.347 3.465 1.00 0.00 N ATOM 590 CA VAL A 37 -9.263 -2.652 4.742 1.00 0.00 C ATOM 591 C VAL A 37 -7.786 -2.553 4.991 1.00 0.00 C ATOM 592 O VAL A 37 -7.044 -3.368 4.469 1.00 0.00 O ATOM 593 CB VAL A 37 -10.058 -3.316 5.901 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.794 -2.695 7.303 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.566 -3.191 5.592 1.00 0.00 C ATOM 0 H VAL A 37 -9.530 -4.356 3.530 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.713 -1.660 4.698 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.721 -4.351 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.389 -3.219 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.736 -2.790 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.071 -1.641 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.141 -3.652 6.395 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.835 -2.138 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.788 -3.695 4.651 1.00 0.00 H new ATOM 605 N THR A 38 -7.357 -1.542 5.771 1.00 0.00 N ATOM 606 CA THR A 38 -5.939 -1.339 6.007 1.00 0.00 C ATOM 607 C THR A 38 -5.754 -0.889 7.428 1.00 0.00 C ATOM 608 O THR A 38 -6.526 -0.058 7.873 1.00 0.00 O ATOM 609 CB THR A 38 -5.350 -0.350 4.971 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.260 -1.043 3.712 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.956 0.170 5.414 1.00 0.00 C ATOM 0 H THR A 38 -7.970 -0.871 6.235 1.00 0.00 H new ATOM 0 HA THR A 38 -5.387 -2.270 5.873 1.00 0.00 H new ATOM 0 HB THR A 38 -5.996 0.524 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.891 -0.441 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.571 0.862 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.047 0.685 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.270 -0.671 5.518 1.00 0.00 H new ATOM 619 N GLU A 39 -4.747 -1.435 8.142 1.00 0.00 N ATOM 620 CA GLU A 39 -4.518 -1.068 9.531 1.00 0.00 C ATOM 621 C GLU A 39 -3.035 -0.880 9.699 1.00 0.00 C ATOM 622 O GLU A 39 -2.298 -1.591 9.034 1.00 0.00 O ATOM 623 CB GLU A 39 -5.028 -2.198 10.466 1.00 0.00 C ATOM 624 CG GLU A 39 -6.576 -2.308 10.451 1.00 0.00 C ATOM 625 CD GLU A 39 -7.059 -3.532 11.188 1.00 0.00 C ATOM 626 OE1 GLU A 39 -6.467 -3.867 12.249 1.00 0.00 O ATOM 627 OE2 GLU A 39 -8.037 -4.171 10.712 1.00 0.00 O ATOM 0 H GLU A 39 -4.092 -2.124 7.772 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.053 -0.154 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.594 -3.149 10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.688 -2.008 11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.008 -1.416 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.928 -2.342 9.420 1.00 0.00 H new ATOM 634 N VAL A 40 -2.592 0.069 10.556 1.00 0.00 N ATOM 635 CA VAL A 40 -1.163 0.324 10.695 1.00 0.00 C ATOM 636 C VAL A 40 -0.827 0.550 12.147 1.00 0.00 C ATOM 637 O VAL A 40 -1.657 1.104 12.850 1.00 0.00 O ATOM 638 CB VAL A 40 -0.748 1.581 9.876 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.785 1.812 9.930 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.193 1.446 8.397 1.00 0.00 C ATOM 0 H VAL A 40 -3.194 0.649 11.141 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.620 -0.542 10.317 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.248 2.438 10.328 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.040 2.697 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.095 1.956 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.298 0.945 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.892 2.336 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.723 0.568 7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.277 1.339 8.351 1.00 0.00 H new ATOM 650 N GLN A 41 0.385 0.151 12.599 1.00 0.00 N ATOM 651 CA GLN A 41 0.841 0.549 13.926 1.00 0.00 C ATOM 652 C GLN A 41 2.333 0.765 13.821 1.00 0.00 C ATOM 653 O GLN A 41 3.082 -0.191 13.943 1.00 0.00 O ATOM 654 CB GLN A 41 0.408 -0.487 14.995 1.00 0.00 C ATOM 655 CG GLN A 41 0.954 -0.122 16.401 1.00 0.00 C ATOM 656 CD GLN A 41 0.499 -1.140 17.419 1.00 0.00 C ATOM 657 OE1 GLN A 41 1.304 -1.954 17.846 1.00 0.00 O ATOM 658 NE2 GLN A 41 -0.790 -1.123 17.823 1.00 0.00 N ATOM 0 H GLN A 41 1.039 -0.429 12.073 1.00 0.00 H new ATOM 0 HA GLN A 41 0.381 1.478 14.263 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.680 -0.541 15.030 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.767 -1.476 14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.043 -0.083 16.377 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.606 0.870 16.688 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.434 -0.428 17.445 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.119 -1.805 18.506 1.00 0.00 H new ATOM 667 N GLN A 42 2.784 2.019 13.572 1.00 0.00 N ATOM 668 CA GLN A 42 4.221 2.257 13.453 1.00 0.00 C ATOM 669 C GLN A 42 4.845 1.939 14.791 1.00 0.00 C ATOM 670 O GLN A 42 4.179 2.119 15.798 1.00 0.00 O ATOM 671 CB GLN A 42 4.518 3.692 12.936 1.00 0.00 C ATOM 672 CG GLN A 42 6.022 4.053 12.805 1.00 0.00 C ATOM 673 CD GLN A 42 6.682 4.519 14.079 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.095 4.426 15.146 1.00 0.00 O ATOM 675 NE2 GLN A 42 7.924 5.044 13.985 1.00 0.00 N ATOM 0 H GLN A 42 2.193 2.842 13.456 1.00 0.00 H new ATOM 0 HA GLN A 42 4.669 1.606 12.702 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.046 3.814 11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.047 4.408 13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.558 3.179 12.435 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.128 4.834 12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.384 5.106 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.401 5.378 14.822 1.00 0.00 H new ATOM 684 N ASP A 43 6.101 1.439 14.813 1.00 0.00 N ATOM 685 CA ASP A 43 6.686 0.923 16.047 1.00 0.00 C ATOM 686 C ASP A 43 8.152 1.280 16.034 1.00 0.00 C ATOM 687 O ASP A 43 8.994 0.402 15.932 1.00 0.00 O ATOM 688 CB ASP A 43 6.433 -0.606 16.038 1.00 0.00 C ATOM 689 CG ASP A 43 6.963 -1.247 17.294 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.351 -1.030 18.375 1.00 0.00 O ATOM 691 OD2 ASP A 43 7.993 -1.971 17.214 1.00 0.00 O ATOM 0 H ASP A 43 6.712 1.387 13.998 1.00 0.00 H new ATOM 0 HA ASP A 43 6.255 1.342 16.956 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.364 -0.801 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.912 -1.053 15.167 1.00 0.00 H new ATOM 696 N GLY A 44 8.465 2.593 16.111 1.00 0.00 N ATOM 697 CA GLY A 44 9.852 3.007 15.947 1.00 0.00 C ATOM 698 C GLY A 44 10.263 2.803 14.509 1.00 0.00 C ATOM 699 O GLY A 44 9.415 2.723 13.635 1.00 0.00 O ATOM 0 H GLY A 44 7.798 3.347 16.279 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.967 4.054 16.226 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.497 2.429 16.608 1.00 0.00 H new ATOM 703 N GLN A 45 11.589 2.715 14.270 1.00 0.00 N ATOM 704 CA GLN A 45 12.104 2.403 12.933 1.00 0.00 C ATOM 705 C GLN A 45 11.394 1.183 12.382 1.00 0.00 C ATOM 706 O GLN A 45 11.160 1.146 11.185 1.00 0.00 O ATOM 707 CB GLN A 45 13.645 2.179 13.035 1.00 0.00 C ATOM 708 CG GLN A 45 14.367 2.231 11.668 1.00 0.00 C ATOM 709 CD GLN A 45 15.834 1.897 11.810 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.238 0.812 11.422 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.660 2.810 12.366 1.00 0.00 N ATOM 0 H GLN A 45 12.308 2.855 14.979 1.00 0.00 H new ATOM 0 HA GLN A 45 11.916 3.228 12.245 1.00 0.00 H new ATOM 0 HB2 GLN A 45 14.072 2.937 13.692 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.834 1.212 13.500 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.897 1.529 10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.258 3.225 11.234 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.291 3.707 12.680 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.653 2.602 12.472 1.00 0.00 H new ATOM 720 N ASP A 46 11.020 0.184 13.218 1.00 0.00 N ATOM 721 CA ASP A 46 10.231 -0.941 12.711 1.00 0.00 C ATOM 722 C ASP A 46 8.777 -0.550 12.550 1.00 0.00 C ATOM 723 O ASP A 46 8.320 0.309 13.286 1.00 0.00 O ATOM 724 CB ASP A 46 10.334 -2.194 13.613 1.00 0.00 C ATOM 725 CG ASP A 46 9.461 -3.307 13.086 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.859 -3.951 12.078 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.366 -3.539 13.668 1.00 0.00 O ATOM 0 H ASP A 46 11.247 0.141 14.211 1.00 0.00 H new ATOM 0 HA ASP A 46 10.651 -1.197 11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.370 -2.530 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.034 -1.941 14.630 1.00 0.00 H new ATOM 732 N PHE A 47 8.039 -1.175 11.599 1.00 0.00 N ATOM 733 CA PHE A 47 6.597 -0.951 11.462 1.00 0.00 C ATOM 734 C PHE A 47 5.921 -2.306 11.468 1.00 0.00 C ATOM 735 O PHE A 47 6.594 -3.303 11.263 1.00 0.00 O ATOM 736 CB PHE A 47 6.217 -0.276 10.113 1.00 0.00 C ATOM 737 CG PHE A 47 6.479 1.240 10.029 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.755 1.770 10.259 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.443 2.123 9.690 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.989 3.144 10.136 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.711 3.467 9.416 1.00 0.00 C ATOM 742 CZ PHE A 47 6.985 3.983 9.651 1.00 0.00 C ATOM 0 H PHE A 47 8.426 -1.834 10.923 1.00 0.00 H new ATOM 0 HA PHE A 47 6.286 -0.300 12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.771 -0.767 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.159 -0.455 9.924 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.566 1.112 10.534 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.427 1.760 9.640 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.947 3.555 10.417 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.933 4.105 9.023 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.193 5.025 9.459 1.00 0.00 H new ATOM 752 N THR A 48 4.584 -2.337 11.675 1.00 0.00 N ATOM 753 CA THR A 48 3.821 -3.577 11.527 1.00 0.00 C ATOM 754 C THR A 48 2.552 -3.184 10.794 1.00 0.00 C ATOM 755 O THR A 48 1.535 -2.922 11.416 1.00 0.00 O ATOM 756 CB THR A 48 3.627 -4.311 12.882 1.00 0.00 C ATOM 757 OG1 THR A 48 2.548 -5.258 12.788 1.00 0.00 O ATOM 758 CG2 THR A 48 3.334 -3.318 14.025 1.00 0.00 C ATOM 0 H THR A 48 4.027 -1.525 11.941 1.00 0.00 H new ATOM 0 HA THR A 48 4.346 -4.333 10.942 1.00 0.00 H new ATOM 0 HB THR A 48 4.557 -4.834 13.106 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.438 -5.715 13.648 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.204 -3.866 14.958 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.167 -2.623 14.126 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.423 -2.763 13.800 1.00 0.00 H new ATOM 766 N TRP A 49 2.630 -3.110 9.444 1.00 0.00 N ATOM 767 CA TRP A 49 1.504 -2.631 8.640 1.00 0.00 C ATOM 768 C TRP A 49 0.557 -3.775 8.389 1.00 0.00 C ATOM 769 O TRP A 49 0.968 -4.906 8.588 1.00 0.00 O ATOM 770 CB TRP A 49 2.043 -2.200 7.250 1.00 0.00 C ATOM 771 CG TRP A 49 1.270 -1.172 6.479 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.209 -1.321 5.670 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.636 0.286 6.459 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.080 -0.170 5.118 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.771 0.797 5.513 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.567 1.066 7.139 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.874 2.121 5.092 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.608 2.421 6.796 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.825 2.919 5.744 1.00 0.00 C ATOM 0 H TRP A 49 3.454 -3.374 8.904 1.00 0.00 H new ATOM 0 HA TRP A 49 1.010 -1.811 9.160 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.056 -1.821 7.388 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.119 -3.094 6.630 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.323 -2.246 5.501 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.853 -0.023 4.469 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.221 0.648 7.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.251 2.514 4.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.250 3.092 7.347 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.958 3.943 5.428 1.00 0.00 H new ATOM 790 N SER A 50 -0.678 -3.520 7.903 1.00 0.00 N ATOM 791 CA SER A 50 -1.487 -4.621 7.386 1.00 0.00 C ATOM 792 C SER A 50 -2.475 -4.152 6.344 1.00 0.00 C ATOM 793 O SER A 50 -2.848 -2.992 6.397 1.00 0.00 O ATOM 794 CB SER A 50 -2.238 -5.400 8.486 1.00 0.00 C ATOM 795 OG SER A 50 -1.370 -5.808 9.556 1.00 0.00 O ATOM 0 H SER A 50 -1.113 -2.599 7.862 1.00 0.00 H new ATOM 0 HA SER A 50 -0.771 -5.303 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.038 -4.777 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.709 -6.280 8.048 1.00 0.00 H new ATOM 0 HG SER A 50 -0.439 -5.782 9.250 1.00 0.00 H new ATOM 801 N GLN A 51 -2.895 -5.039 5.407 1.00 0.00 N ATOM 802 CA GLN A 51 -3.819 -4.652 4.343 1.00 0.00 C ATOM 803 C GLN A 51 -4.870 -5.740 4.301 1.00 0.00 C ATOM 804 O GLN A 51 -4.717 -6.682 3.540 1.00 0.00 O ATOM 805 CB GLN A 51 -3.038 -4.456 3.014 1.00 0.00 C ATOM 806 CG GLN A 51 -1.768 -3.589 3.242 1.00 0.00 C ATOM 807 CD GLN A 51 -1.069 -3.189 1.965 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.665 -3.271 0.903 1.00 0.00 O ATOM 809 NE2 GLN A 51 0.203 -2.737 2.039 1.00 0.00 N ATOM 0 H GLN A 51 -2.604 -6.016 5.377 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.311 -3.695 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.753 -5.427 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.682 -3.978 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.047 -2.689 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.070 -4.142 3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.673 -2.681 2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.693 -2.452 1.191 1.00 0.00 H new ATOM 818 N HIS A 52 -5.922 -5.646 5.152 1.00 0.00 N ATOM 819 CA HIS A 52 -6.822 -6.782 5.338 1.00 0.00 C ATOM 820 C HIS A 52 -7.815 -6.883 4.212 1.00 0.00 C ATOM 821 O HIS A 52 -8.135 -5.864 3.622 1.00 0.00 O ATOM 822 CB HIS A 52 -7.625 -6.806 6.664 1.00 0.00 C ATOM 823 CG HIS A 52 -6.762 -6.424 7.830 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.131 -7.282 8.594 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.526 -5.163 8.240 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.457 -6.640 9.494 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.643 -5.407 9.349 1.00 0.00 N ATOM 0 H HIS A 52 -6.153 -4.817 5.699 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.137 -7.629 5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.469 -6.120 6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.037 -7.802 6.824 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.166 -8.297 8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.897 -4.228 7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.833 -7.094 10.250 1.00 0.00 H new ATOM 835 N TYR A 53 -8.305 -8.110 3.918 1.00 0.00 N ATOM 836 CA TYR A 53 -9.279 -8.286 2.845 1.00 0.00 C ATOM 837 C TYR A 53 -10.638 -8.353 3.504 1.00 0.00 C ATOM 838 O TYR A 53 -11.413 -7.423 3.344 1.00 0.00 O ATOM 839 CB TYR A 53 -8.948 -9.545 1.995 1.00 0.00 C ATOM 840 CG TYR A 53 -7.754 -9.351 1.032 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.632 -8.583 1.372 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.773 -9.960 -0.229 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.560 -8.426 0.492 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.687 -9.839 -1.099 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.557 -9.107 -0.727 1.00 0.00 C ATOM 846 OH TYR A 53 -4.452 -9.063 -1.583 1.00 0.00 O ATOM 0 H TYR A 53 -8.042 -8.968 4.403 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.258 -7.456 2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.731 -10.377 2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.829 -9.823 1.416 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.596 -8.101 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.638 -10.530 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.735 -7.780 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.721 -10.315 -2.068 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.636 -9.599 -2.382 1.00 0.00 H new ATOM 856 N SER A 54 -10.942 -9.435 4.259 1.00 0.00 N ATOM 857 CA SER A 54 -12.239 -9.535 4.927 1.00 0.00 C ATOM 858 C SER A 54 -12.136 -10.549 6.045 1.00 0.00 C ATOM 859 O SER A 54 -12.919 -11.485 6.087 1.00 0.00 O ATOM 860 CB SER A 54 -13.322 -9.922 3.884 1.00 0.00 C ATOM 861 OG SER A 54 -14.635 -9.949 4.468 1.00 0.00 O ATOM 0 H SER A 54 -10.317 -10.227 4.412 1.00 0.00 H new ATOM 0 HA SER A 54 -12.528 -8.579 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.305 -9.209 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.090 -10.901 3.464 1.00 0.00 H new ATOM 0 HG SER A 54 -14.638 -10.556 5.237 1.00 0.00 H new ATOM 867 N GLY A 55 -11.152 -10.377 6.958 1.00 0.00 N ATOM 868 CA GLY A 55 -10.956 -11.374 8.006 1.00 0.00 C ATOM 869 C GLY A 55 -10.626 -12.706 7.376 1.00 0.00 C ATOM 870 O GLY A 55 -11.280 -13.689 7.687 1.00 0.00 O ATOM 0 H GLY A 55 -10.510 -9.585 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.150 -11.064 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.856 -11.460 8.614 1.00 0.00 H new ATOM 874 N GLY A 56 -9.607 -12.754 6.485 1.00 0.00 N ATOM 875 CA GLY A 56 -9.254 -14.019 5.845 1.00 0.00 C ATOM 876 C GLY A 56 -7.951 -13.878 5.093 1.00 0.00 C ATOM 877 O GLY A 56 -6.922 -14.273 5.620 1.00 0.00 O ATOM 0 H GLY A 56 -9.039 -11.954 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.165 -14.803 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.046 -14.322 5.161 1.00 0.00 H new ATOM 881 N HIS A 57 -7.972 -13.287 3.874 1.00 0.00 N ATOM 882 CA HIS A 57 -6.724 -12.973 3.177 1.00 0.00 C ATOM 883 C HIS A 57 -6.209 -11.719 3.836 1.00 0.00 C ATOM 884 O HIS A 57 -6.317 -10.650 3.258 1.00 0.00 O ATOM 885 CB HIS A 57 -6.957 -12.865 1.641 1.00 0.00 C ATOM 886 CG HIS A 57 -5.785 -12.442 0.781 1.00 0.00 C ATOM 887 ND1 HIS A 57 -5.792 -12.647 -0.519 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.633 -11.833 1.134 1.00 0.00 C ATOM 889 CE1 HIS A 57 -4.694 -12.205 -1.042 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.974 -11.718 -0.139 1.00 0.00 N ATOM 0 H HIS A 57 -8.821 -13.028 3.372 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.970 -13.756 3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.302 -13.836 1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.769 -12.157 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.297 -11.517 2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.438 -12.249 -2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.055 -11.301 -0.286 1.00 0.00 H new ATOM 898 N THR A 58 -5.635 -11.834 5.059 1.00 0.00 N ATOM 899 CA THR A 58 -4.985 -10.676 5.655 1.00 0.00 C ATOM 900 C THR A 58 -3.624 -10.605 5.007 1.00 0.00 C ATOM 901 O THR A 58 -2.762 -11.388 5.375 1.00 0.00 O ATOM 902 CB THR A 58 -4.902 -10.682 7.209 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.194 -10.385 7.769 1.00 0.00 O ATOM 904 CG2 THR A 58 -3.892 -9.614 7.708 1.00 0.00 C ATOM 0 H THR A 58 -5.615 -12.686 5.620 1.00 0.00 H new ATOM 0 HA THR A 58 -5.586 -9.787 5.466 1.00 0.00 H new ATOM 0 HB THR A 58 -4.571 -11.671 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.136 -10.392 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.849 -9.635 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.904 -9.830 7.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.213 -8.627 7.376 1.00 0.00 H new ATOM 912 N MET A 59 -3.414 -9.675 4.047 1.00 0.00 N ATOM 913 CA MET A 59 -2.077 -9.482 3.494 1.00 0.00 C ATOM 914 C MET A 59 -1.373 -8.585 4.482 1.00 0.00 C ATOM 915 O MET A 59 -2.078 -7.814 5.115 1.00 0.00 O ATOM 916 CB MET A 59 -2.190 -8.768 2.121 1.00 0.00 C ATOM 917 CG MET A 59 -0.878 -8.787 1.305 1.00 0.00 C ATOM 918 SD MET A 59 -0.987 -7.548 -0.027 1.00 0.00 S ATOM 919 CE MET A 59 -0.001 -6.217 0.725 1.00 0.00 C ATOM 0 H MET A 59 -4.136 -9.069 3.657 1.00 0.00 H new ATOM 0 HA MET A 59 -1.545 -10.421 3.342 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.978 -9.243 1.537 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.493 -7.733 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.029 -8.569 1.953 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.711 -9.778 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.145 -5.295 0.162 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.320 -6.066 1.756 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.054 -6.491 0.708 1.00 0.00 H new ATOM 929 N THR A 60 -0.030 -8.639 4.651 1.00 0.00 N ATOM 930 CA THR A 60 0.612 -7.739 5.607 1.00 0.00 C ATOM 931 C THR A 60 2.001 -7.324 5.182 1.00 0.00 C ATOM 932 O THR A 60 2.656 -8.094 4.499 1.00 0.00 O ATOM 933 CB THR A 60 0.579 -8.394 7.018 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.567 -7.945 7.757 1.00 0.00 O ATOM 935 CG2 THR A 60 1.840 -8.141 7.884 1.00 0.00 C ATOM 0 H THR A 60 0.598 -9.272 4.156 1.00 0.00 H new ATOM 0 HA THR A 60 0.050 -6.806 5.642 1.00 0.00 H new ATOM 0 HB THR A 60 0.536 -9.465 6.819 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.314 -7.791 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.725 -8.636 8.848 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.717 -8.539 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.966 -7.069 8.039 1.00 0.00 H new ATOM 943 N ASN A 61 2.440 -6.105 5.590 1.00 0.00 N ATOM 944 CA ASN A 61 3.730 -5.570 5.165 1.00 0.00 C ATOM 945 C ASN A 61 4.467 -5.044 6.376 1.00 0.00 C ATOM 946 O ASN A 61 4.555 -3.839 6.553 1.00 0.00 O ATOM 947 CB ASN A 61 3.495 -4.460 4.104 1.00 0.00 C ATOM 948 CG ASN A 61 2.995 -4.997 2.786 1.00 0.00 C ATOM 949 OD1 ASN A 61 2.573 -6.139 2.715 1.00 0.00 O ATOM 950 ND2 ASN A 61 3.024 -4.177 1.716 1.00 0.00 N ATOM 0 H ASN A 61 1.913 -5.489 6.209 1.00 0.00 H new ATOM 0 HA ASN A 61 4.342 -6.348 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.775 -3.741 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.427 -3.920 3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.686 -4.506 0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.384 -3.227 1.811 1.00 0.00 H new ATOM 957 N LYS A 62 5.029 -5.935 7.225 1.00 0.00 N ATOM 958 CA LYS A 62 5.935 -5.455 8.268 1.00 0.00 C ATOM 959 C LYS A 62 7.238 -5.094 7.596 1.00 0.00 C ATOM 960 O LYS A 62 7.565 -5.711 6.593 1.00 0.00 O ATOM 961 CB LYS A 62 6.153 -6.444 9.446 1.00 0.00 C ATOM 962 CG LYS A 62 6.942 -7.727 9.057 1.00 0.00 C ATOM 963 CD LYS A 62 7.223 -8.656 10.273 1.00 0.00 C ATOM 964 CE LYS A 62 5.955 -9.166 11.018 1.00 0.00 C ATOM 965 NZ LYS A 62 4.987 -9.852 10.131 1.00 0.00 N ATOM 0 H LYS A 62 4.875 -6.943 7.205 1.00 0.00 H new ATOM 0 HA LYS A 62 5.477 -4.589 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.687 -5.930 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.182 -6.735 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.378 -8.280 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.888 -7.441 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.795 -9.518 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.852 -8.119 10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.259 -9.850 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.461 -8.322 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.167 -10.166 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.670 -9.195 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.443 -10.677 9.691 1.00 0.00 H new ATOM 979 N PHE A 63 7.989 -4.105 8.128 1.00 0.00 N ATOM 980 CA PHE A 63 9.258 -3.718 7.511 1.00 0.00 C ATOM 981 C PHE A 63 10.024 -2.834 8.467 1.00 0.00 C ATOM 982 O PHE A 63 9.433 -2.416 9.450 1.00 0.00 O ATOM 983 CB PHE A 63 9.024 -2.991 6.158 1.00 0.00 C ATOM 984 CG PHE A 63 8.038 -1.824 6.309 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.425 -0.642 6.947 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.738 -1.930 5.799 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.506 0.398 7.121 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.807 -0.909 6.006 1.00 0.00 C ATOM 989 CZ PHE A 63 6.186 0.246 6.693 1.00 0.00 C ATOM 0 H PHE A 63 7.739 -3.576 8.964 1.00 0.00 H new ATOM 0 HA PHE A 63 9.840 -4.616 7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.974 -2.619 5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.640 -3.700 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.437 -0.531 7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.452 -2.809 5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.818 1.321 7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.798 -1.013 5.636 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.460 1.020 6.893 1.00 0.00 H new ATOM 999 N THR A 64 11.316 -2.537 8.194 1.00 0.00 N ATOM 1000 CA THR A 64 12.076 -1.621 9.043 1.00 0.00 C ATOM 1001 C THR A 64 12.701 -0.589 8.136 1.00 0.00 C ATOM 1002 O THR A 64 13.236 -0.979 7.109 1.00 0.00 O ATOM 1003 CB THR A 64 13.062 -2.390 9.958 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.348 -3.280 10.835 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.881 -1.422 10.845 1.00 0.00 C ATOM 0 H THR A 64 11.837 -2.917 7.404 1.00 0.00 H new ATOM 0 HA THR A 64 11.439 -1.094 9.753 1.00 0.00 H new ATOM 0 HB THR A 64 13.730 -2.948 9.302 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.406 -3.012 10.877 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.563 -1.994 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.454 -0.745 10.212 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.204 -0.845 11.475 1.00 0.00 H new ATOM 1013 N VAL A 65 12.600 0.721 8.473 1.00 0.00 N ATOM 1014 CA VAL A 65 12.907 1.765 7.509 1.00 0.00 C ATOM 1015 C VAL A 65 14.369 2.118 7.620 1.00 0.00 C ATOM 1016 O VAL A 65 14.923 2.011 8.702 1.00 0.00 O ATOM 1017 CB VAL A 65 11.940 2.982 7.647 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.498 2.552 8.012 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.436 4.076 8.621 1.00 0.00 C ATOM 0 H VAL A 65 12.312 1.058 9.392 1.00 0.00 H new ATOM 0 HA VAL A 65 12.737 1.402 6.496 1.00 0.00 H new ATOM 0 HB VAL A 65 11.928 3.430 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.865 3.435 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.106 1.897 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.507 2.020 8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.708 4.886 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.557 3.649 9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.393 4.465 8.274 1.00 0.00 H new ATOM 1029 N GLY A 66 15.025 2.508 6.505 1.00 0.00 N ATOM 1030 CA GLY A 66 16.467 2.707 6.539 1.00 0.00 C ATOM 1031 C GLY A 66 17.203 1.403 6.745 1.00 0.00 C ATOM 1032 O GLY A 66 18.399 1.490 6.981 1.00 0.00 O ATOM 0 H GLY A 66 14.584 2.684 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.794 3.167 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.721 3.400 7.342 1.00 0.00 H new ATOM 1036 N LYS A 67 16.551 0.211 6.670 1.00 0.00 N ATOM 1037 CA LYS A 67 17.253 -1.043 6.961 1.00 0.00 C ATOM 1038 C LYS A 67 16.968 -2.202 6.022 1.00 0.00 C ATOM 1039 O LYS A 67 17.528 -3.262 6.250 1.00 0.00 O ATOM 1040 CB LYS A 67 16.851 -1.429 8.415 1.00 0.00 C ATOM 1041 CG LYS A 67 17.982 -2.191 9.157 1.00 0.00 C ATOM 1042 CD LYS A 67 17.560 -2.571 10.602 1.00 0.00 C ATOM 1043 CE LYS A 67 18.655 -3.368 11.367 1.00 0.00 C ATOM 1044 NZ LYS A 67 19.905 -2.602 11.585 1.00 0.00 N ATOM 0 H LYS A 67 15.569 0.105 6.417 1.00 0.00 H new ATOM 0 HA LYS A 67 18.320 -0.863 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.599 -0.526 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.955 -2.049 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 67 18.238 -3.094 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.878 -1.572 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.326 -1.662 11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.647 -3.165 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.257 -3.680 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.888 -4.275 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.589 -3.193 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.308 -2.326 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.697 -1.749 12.142 1.00 0.00 H new ATOM 1058 N GLU A 68 16.130 -2.053 4.973 1.00 0.00 N ATOM 1059 CA GLU A 68 15.811 -3.162 4.078 1.00 0.00 C ATOM 1060 C GLU A 68 15.090 -4.314 4.746 1.00 0.00 C ATOM 1061 O GLU A 68 15.443 -4.680 5.855 1.00 0.00 O ATOM 1062 CB GLU A 68 17.061 -3.632 3.290 1.00 0.00 C ATOM 1063 CG GLU A 68 16.664 -4.277 1.937 1.00 0.00 C ATOM 1064 CD GLU A 68 17.845 -4.774 1.142 1.00 0.00 C ATOM 1065 OE1 GLU A 68 18.952 -4.934 1.724 1.00 0.00 O ATOM 1066 OE2 GLU A 68 17.670 -5.012 -0.084 1.00 0.00 O ATOM 0 H GLU A 68 15.669 -1.175 4.734 1.00 0.00 H new ATOM 0 HA GLU A 68 15.092 -2.763 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.721 -2.783 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.621 -4.351 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.986 -5.109 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.116 -3.547 1.342 1.00 0.00 H new ATOM 1073 N SER A 69 14.067 -4.904 4.082 1.00 0.00 N ATOM 1074 CA SER A 69 13.355 -6.048 4.653 1.00 0.00 C ATOM 1075 C SER A 69 12.545 -6.701 3.555 1.00 0.00 C ATOM 1076 O SER A 69 12.251 -6.009 2.593 1.00 0.00 O ATOM 1077 CB SER A 69 12.376 -5.617 5.778 1.00 0.00 C ATOM 1078 OG SER A 69 13.045 -5.255 6.997 1.00 0.00 O ATOM 0 H SER A 69 13.729 -4.606 3.167 1.00 0.00 H new ATOM 0 HA SER A 69 14.092 -6.729 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.782 -4.771 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.681 -6.433 5.980 1.00 0.00 H new ATOM 0 HG SER A 69 14.003 -5.142 6.823 1.00 0.00 H new ATOM 1084 N ASN A 70 12.172 -7.998 3.661 1.00 0.00 N ATOM 1085 CA ASN A 70 11.353 -8.590 2.606 1.00 0.00 C ATOM 1086 C ASN A 70 9.942 -8.074 2.764 1.00 0.00 C ATOM 1087 O ASN A 70 9.527 -7.891 3.898 1.00 0.00 O ATOM 1088 CB ASN A 70 11.354 -10.139 2.573 1.00 0.00 C ATOM 1089 CG ASN A 70 10.877 -10.711 3.887 1.00 0.00 C ATOM 1090 OD1 ASN A 70 11.708 -11.078 4.703 1.00 0.00 O ATOM 1091 ND2 ASN A 70 9.549 -10.795 4.124 1.00 0.00 N ATOM 0 H ASN A 70 12.416 -8.620 4.432 1.00 0.00 H new ATOM 0 HA ASN A 70 11.793 -8.291 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.711 -10.489 1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.360 -10.501 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.212 -11.175 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.884 -10.478 3.418 1.00 0.00 H new ATOM 1098 N ILE A 71 9.202 -7.829 1.655 1.00 0.00 N ATOM 1099 CA ILE A 71 7.838 -7.303 1.743 1.00 0.00 C ATOM 1100 C ILE A 71 7.010 -8.018 0.698 1.00 0.00 C ATOM 1101 O ILE A 71 7.569 -8.322 -0.344 1.00 0.00 O ATOM 1102 CB ILE A 71 7.871 -5.764 1.516 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.762 -5.097 2.604 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.441 -5.160 1.498 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.869 -3.557 2.481 1.00 0.00 C ATOM 0 H ILE A 71 9.532 -7.989 0.703 1.00 0.00 H new ATOM 0 HA ILE A 71 7.395 -7.475 2.724 1.00 0.00 H new ATOM 0 HB ILE A 71 8.306 -5.563 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.362 -5.345 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.763 -5.525 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.503 -4.084 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.864 -5.615 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.951 -5.357 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.507 -3.172 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.299 -3.298 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.876 -3.115 2.567 1.00 0.00 H new ATOM 1117 N GLN A 72 5.709 -8.312 0.949 1.00 0.00 N ATOM 1118 CA GLN A 72 4.950 -9.143 0.010 1.00 0.00 C ATOM 1119 C GLN A 72 4.281 -8.305 -1.053 1.00 0.00 C ATOM 1120 O GLN A 72 4.175 -8.795 -2.165 1.00 0.00 O ATOM 1121 CB GLN A 72 3.971 -10.125 0.709 1.00 0.00 C ATOM 1122 CG GLN A 72 2.681 -9.462 1.252 1.00 0.00 C ATOM 1123 CD GLN A 72 1.871 -10.498 1.999 1.00 0.00 C ATOM 1124 OE1 GLN A 72 1.816 -10.444 3.217 1.00 0.00 O ATOM 1125 NE2 GLN A 72 1.232 -11.461 1.297 1.00 0.00 N ATOM 0 H GLN A 72 5.188 -7.994 1.766 1.00 0.00 H new ATOM 0 HA GLN A 72 5.675 -9.782 -0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.694 -10.907 0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.491 -10.611 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.934 -8.633 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.096 -9.048 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.298 -11.479 0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.684 -12.170 1.785 1.00 0.00 H new ATOM 1134 N THR A 73 3.845 -7.060 -0.747 1.00 0.00 N ATOM 1135 CA THR A 73 3.337 -6.142 -1.773 1.00 0.00 C ATOM 1136 C THR A 73 1.960 -6.550 -2.217 1.00 0.00 C ATOM 1137 O THR A 73 1.541 -7.661 -1.936 1.00 0.00 O ATOM 1138 CB THR A 73 4.233 -5.947 -3.030 1.00 0.00 C ATOM 1139 OG1 THR A 73 4.031 -6.989 -3.989 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.711 -5.733 -2.627 1.00 0.00 C ATOM 0 H THR A 73 3.838 -6.678 0.199 1.00 0.00 H new ATOM 0 HA THR A 73 3.329 -5.176 -1.267 1.00 0.00 H new ATOM 0 HB THR A 73 3.928 -5.032 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.320 -7.844 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.317 -5.599 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.792 -4.846 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.067 -6.603 -2.075 1.00 0.00 H new ATOM 1148 N MET A 74 1.258 -5.648 -2.938 1.00 0.00 N ATOM 1149 CA MET A 74 -0.031 -6.029 -3.499 1.00 0.00 C ATOM 1150 C MET A 74 0.177 -7.077 -4.567 1.00 0.00 C ATOM 1151 O MET A 74 -0.687 -7.928 -4.710 1.00 0.00 O ATOM 1152 CB MET A 74 -0.851 -4.840 -4.067 1.00 0.00 C ATOM 1153 CG MET A 74 -1.364 -3.880 -2.957 1.00 0.00 C ATOM 1154 SD MET A 74 -2.312 -4.687 -1.612 1.00 0.00 S ATOM 1155 CE MET A 74 -3.584 -5.701 -2.430 1.00 0.00 C ATOM 0 H MET A 74 1.556 -4.692 -3.133 1.00 0.00 H new ATOM 0 HA MET A 74 -0.623 -6.429 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.233 -4.280 -4.769 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.701 -5.226 -4.629 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.509 -3.365 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.993 -3.119 -3.418 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.184 -6.210 -1.676 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.227 -5.061 -3.034 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.103 -6.441 -3.070 1.00 0.00 H new ATOM 1165 N GLY A 75 1.303 -7.061 -5.319 1.00 0.00 N ATOM 1166 CA GLY A 75 1.527 -8.122 -6.285 1.00 0.00 C ATOM 1167 C GLY A 75 1.631 -9.433 -5.554 1.00 0.00 C ATOM 1168 O GLY A 75 1.880 -9.458 -4.359 1.00 0.00 O ATOM 0 H GLY A 75 2.033 -6.350 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.709 -8.156 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.440 -7.932 -6.849 1.00 0.00 H new ATOM 1172 N GLY A 76 1.436 -10.536 -6.302 1.00 0.00 N ATOM 1173 CA GLY A 76 1.460 -11.860 -5.691 1.00 0.00 C ATOM 1174 C GLY A 76 2.890 -12.209 -5.375 1.00 0.00 C ATOM 1175 O GLY A 76 3.191 -12.549 -4.241 1.00 0.00 O ATOM 0 H GLY A 76 1.264 -10.530 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.857 -11.870 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.030 -12.598 -6.368 1.00 0.00 H new ATOM 1179 N LYS A 77 3.779 -12.120 -6.391 1.00 0.00 N ATOM 1180 CA LYS A 77 5.191 -12.418 -6.162 1.00 0.00 C ATOM 1181 C LYS A 77 5.714 -11.634 -4.977 1.00 0.00 C ATOM 1182 O LYS A 77 5.205 -10.554 -4.719 1.00 0.00 O ATOM 1183 CB LYS A 77 6.084 -12.175 -7.416 1.00 0.00 C ATOM 1184 CG LYS A 77 5.913 -10.765 -8.062 1.00 0.00 C ATOM 1185 CD LYS A 77 5.320 -10.816 -9.502 1.00 0.00 C ATOM 1186 CE LYS A 77 5.106 -9.399 -10.102 1.00 0.00 C ATOM 1187 NZ LYS A 77 4.527 -9.451 -11.465 1.00 0.00 N ATOM 0 H LYS A 77 3.543 -11.852 -7.346 1.00 0.00 H new ATOM 0 HA LYS A 77 5.249 -13.485 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.129 -12.309 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.855 -12.935 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.263 -10.160 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.882 -10.267 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.989 -11.384 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.368 -11.347 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.446 -8.826 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.059 -8.872 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.401 -8.484 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.168 -9.975 -12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.605 -9.931 -11.432 1.00 0.00 H new ATOM 1201 N THR A 78 6.717 -12.174 -4.243 1.00 0.00 N ATOM 1202 CA THR A 78 7.262 -11.478 -3.076 1.00 0.00 C ATOM 1203 C THR A 78 8.429 -10.639 -3.532 1.00 0.00 C ATOM 1204 O THR A 78 9.015 -10.975 -4.549 1.00 0.00 O ATOM 1205 CB THR A 78 7.708 -12.512 -2.001 1.00 0.00 C ATOM 1206 OG1 THR A 78 6.585 -13.322 -1.615 1.00 0.00 O ATOM 1207 CG2 THR A 78 8.369 -11.879 -0.745 1.00 0.00 C ATOM 0 H THR A 78 7.152 -13.075 -4.442 1.00 0.00 H new ATOM 0 HA THR A 78 6.505 -10.836 -2.626 1.00 0.00 H new ATOM 0 HB THR A 78 8.481 -13.124 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.868 -13.973 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.650 -12.667 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.258 -11.324 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.663 -11.202 -0.264 1.00 0.00 H new ATOM 1215 N PHE A 79 8.777 -9.555 -2.799 1.00 0.00 N ATOM 1216 CA PHE A 79 9.915 -8.729 -3.185 1.00 0.00 C ATOM 1217 C PHE A 79 10.696 -8.342 -1.953 1.00 0.00 C ATOM 1218 O PHE A 79 10.308 -8.710 -0.856 1.00 0.00 O ATOM 1219 CB PHE A 79 9.362 -7.434 -3.824 1.00 0.00 C ATOM 1220 CG PHE A 79 8.442 -7.732 -5.012 1.00 0.00 C ATOM 1221 CD1 PHE A 79 7.084 -8.003 -4.808 1.00 0.00 C ATOM 1222 CD2 PHE A 79 8.952 -7.717 -6.315 1.00 0.00 C ATOM 1223 CE1 PHE A 79 6.206 -8.001 -5.894 1.00 0.00 C ATOM 1224 CE2 PHE A 79 8.077 -7.780 -7.401 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.700 -7.776 -7.176 1.00 0.00 C ATOM 0 H PHE A 79 8.290 -9.247 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 79 10.557 -9.275 -3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.813 -6.864 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.192 -6.809 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.717 -8.213 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.018 -7.657 -6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.151 -8.173 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 79 8.463 -7.831 -8.408 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.019 -7.599 -7.995 1.00 0.00 H new ATOM 1235 N LYS A 80 11.789 -7.572 -2.146 1.00 0.00 N ATOM 1236 CA LYS A 80 12.508 -6.970 -1.031 1.00 0.00 C ATOM 1237 C LYS A 80 12.768 -5.531 -1.407 1.00 0.00 C ATOM 1238 O LYS A 80 12.909 -5.267 -2.590 1.00 0.00 O ATOM 1239 CB LYS A 80 13.794 -7.793 -0.767 1.00 0.00 C ATOM 1240 CG LYS A 80 14.705 -7.174 0.328 1.00 0.00 C ATOM 1241 CD LYS A 80 16.044 -7.945 0.523 1.00 0.00 C ATOM 1242 CE LYS A 80 15.909 -9.368 1.136 1.00 0.00 C ATOM 1243 NZ LYS A 80 15.413 -9.358 2.533 1.00 0.00 N ATOM 0 H LYS A 80 12.182 -7.361 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 80 11.945 -6.980 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.515 -8.804 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.359 -7.878 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.925 -6.139 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.163 -7.155 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.539 -8.030 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.696 -7.352 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.230 -9.959 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.880 -9.863 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.345 -10.335 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.072 -8.820 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.474 -8.913 2.565 1.00 0.00 H new ATOM 1257 N ALA A 81 12.809 -4.590 -0.437 1.00 0.00 N ATOM 1258 CA ALA A 81 12.897 -3.176 -0.792 1.00 0.00 C ATOM 1259 C ALA A 81 13.493 -2.389 0.342 1.00 0.00 C ATOM 1260 O ALA A 81 13.489 -2.911 1.445 1.00 0.00 O ATOM 1261 CB ALA A 81 11.467 -2.648 -1.006 1.00 0.00 C ATOM 0 H ALA A 81 12.783 -4.785 0.564 1.00 0.00 H new ATOM 0 HA ALA A 81 13.514 -3.070 -1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.505 -1.592 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.989 -3.208 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.893 -2.770 -0.087 1.00 0.00 H new ATOM 1267 N THR A 82 13.976 -1.149 0.089 1.00 0.00 N ATOM 1268 CA THR A 82 14.503 -0.332 1.178 1.00 0.00 C ATOM 1269 C THR A 82 13.441 0.673 1.542 1.00 0.00 C ATOM 1270 O THR A 82 13.360 1.702 0.889 1.00 0.00 O ATOM 1271 CB THR A 82 15.870 0.299 0.804 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.712 -0.763 0.320 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.526 0.977 2.041 1.00 0.00 C ATOM 0 H THR A 82 14.007 -0.714 -0.833 1.00 0.00 H new ATOM 0 HA THR A 82 14.721 -0.938 2.057 1.00 0.00 H new ATOM 0 HB THR A 82 15.734 1.069 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.587 -0.399 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.483 1.412 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.869 1.762 2.417 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.686 0.233 2.822 1.00 0.00 H new ATOM 1281 N VAL A 83 12.621 0.392 2.584 1.00 0.00 N ATOM 1282 CA VAL A 83 11.655 1.392 3.020 1.00 0.00 C ATOM 1283 C VAL A 83 12.471 2.488 3.655 1.00 0.00 C ATOM 1284 O VAL A 83 13.469 2.166 4.277 1.00 0.00 O ATOM 1285 CB VAL A 83 10.579 0.856 4.008 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.617 1.978 4.496 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.748 -0.268 3.335 1.00 0.00 C ATOM 0 H VAL A 83 12.616 -0.482 3.109 1.00 0.00 H new ATOM 0 HA VAL A 83 11.075 1.735 2.163 1.00 0.00 H new ATOM 0 HB VAL A 83 11.110 0.464 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.884 1.555 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.190 2.752 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.102 2.414 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.998 -0.635 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.253 0.127 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.408 -1.086 3.048 1.00 0.00 H new ATOM 1297 N GLN A 84 12.073 3.769 3.508 1.00 0.00 N ATOM 1298 CA GLN A 84 12.734 4.861 4.217 1.00 0.00 C ATOM 1299 C GLN A 84 11.642 5.799 4.667 1.00 0.00 C ATOM 1300 O GLN A 84 10.492 5.551 4.345 1.00 0.00 O ATOM 1301 CB GLN A 84 13.804 5.572 3.341 1.00 0.00 C ATOM 1302 CG GLN A 84 14.818 4.559 2.762 1.00 0.00 C ATOM 1303 CD GLN A 84 15.883 5.250 1.943 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.840 5.170 0.725 1.00 0.00 O ATOM 1305 NE2 GLN A 84 16.850 5.943 2.585 1.00 0.00 N ATOM 0 H GLN A 84 11.302 4.061 2.907 1.00 0.00 H new ATOM 0 HA GLN A 84 13.292 4.483 5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.314 6.106 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.331 6.316 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.286 4.005 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.294 3.832 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.854 5.988 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.575 6.421 2.050 1.00 0.00 H new ATOM 1314 N MET A 85 11.991 6.866 5.411 1.00 0.00 N ATOM 1315 CA MET A 85 10.992 7.792 5.944 1.00 0.00 C ATOM 1316 C MET A 85 11.445 9.197 5.643 1.00 0.00 C ATOM 1317 O MET A 85 12.581 9.384 5.238 1.00 0.00 O ATOM 1318 CB MET A 85 10.825 7.684 7.488 1.00 0.00 C ATOM 1319 CG MET A 85 9.560 6.872 7.864 1.00 0.00 C ATOM 1320 SD MET A 85 9.107 7.159 9.602 1.00 0.00 S ATOM 1321 CE MET A 85 7.951 8.538 9.309 1.00 0.00 C ATOM 0 H MET A 85 12.954 7.101 5.652 1.00 0.00 H new ATOM 0 HA MET A 85 10.039 7.542 5.479 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.706 7.208 7.918 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.760 8.683 7.919 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.732 7.157 7.215 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.741 5.810 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.557 8.891 10.262 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.475 9.352 8.809 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.128 8.196 8.681 1.00 0.00 H new ATOM 1331 N GLU A 86 10.555 10.185 5.888 1.00 0.00 N ATOM 1332 CA GLU A 86 10.990 11.581 5.833 1.00 0.00 C ATOM 1333 C GLU A 86 10.024 12.481 6.578 1.00 0.00 C ATOM 1334 O GLU A 86 9.321 13.265 5.960 1.00 0.00 O ATOM 1335 CB GLU A 86 11.325 12.057 4.390 1.00 0.00 C ATOM 1336 CG GLU A 86 10.203 11.764 3.366 1.00 0.00 C ATOM 1337 CD GLU A 86 10.657 12.224 2.004 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.459 13.427 1.682 1.00 0.00 O ATOM 1339 OE2 GLU A 86 11.219 11.390 1.243 1.00 0.00 O ATOM 0 H GLU A 86 9.571 10.043 6.116 1.00 0.00 H new ATOM 0 HA GLU A 86 11.941 11.653 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.520 13.129 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.243 11.571 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.977 10.698 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.286 12.280 3.652 1.00 0.00 H new ATOM 1346 N GLY A 87 10.003 12.386 7.930 1.00 0.00 N ATOM 1347 CA GLY A 87 9.181 13.289 8.733 1.00 0.00 C ATOM 1348 C GLY A 87 7.827 12.660 8.942 1.00 0.00 C ATOM 1349 O GLY A 87 7.769 11.674 9.659 1.00 0.00 O ATOM 0 H GLY A 87 10.538 11.704 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.660 13.481 9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.077 14.251 8.231 1.00 0.00 H new ATOM 1353 N GLY A 88 6.742 13.193 8.328 1.00 0.00 N ATOM 1354 CA GLY A 88 5.429 12.560 8.438 1.00 0.00 C ATOM 1355 C GLY A 88 5.089 11.923 7.114 1.00 0.00 C ATOM 1356 O GLY A 88 3.951 12.031 6.683 1.00 0.00 O ATOM 0 H GLY A 88 6.760 14.043 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.436 11.809 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.674 13.299 8.707 1.00 0.00 H new ATOM 1360 N LYS A 89 6.068 11.253 6.460 1.00 0.00 N ATOM 1361 CA LYS A 89 5.819 10.680 5.140 1.00 0.00 C ATOM 1362 C LYS A 89 6.726 9.488 4.946 1.00 0.00 C ATOM 1363 O LYS A 89 7.771 9.449 5.576 1.00 0.00 O ATOM 1364 CB LYS A 89 5.959 11.820 4.088 1.00 0.00 C ATOM 1365 CG LYS A 89 5.596 11.413 2.631 1.00 0.00 C ATOM 1366 CD LYS A 89 6.749 10.720 1.844 1.00 0.00 C ATOM 1367 CE LYS A 89 7.575 11.697 0.960 1.00 0.00 C ATOM 1368 NZ LYS A 89 6.884 12.104 -0.288 1.00 0.00 N ATOM 0 H LYS A 89 7.010 11.105 6.823 1.00 0.00 H new ATOM 0 HA LYS A 89 4.809 10.287 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.321 12.652 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.986 12.185 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.738 10.741 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.286 12.304 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.418 10.230 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.327 9.939 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.810 12.588 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.523 11.226 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.493 12.754 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.683 11.262 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.992 12.582 -0.051 1.00 0.00 H new ATOM 1382 N LEU A 90 6.313 8.503 4.113 1.00 0.00 N ATOM 1383 CA LEU A 90 7.000 7.219 4.051 1.00 0.00 C ATOM 1384 C LEU A 90 7.453 6.933 2.643 1.00 0.00 C ATOM 1385 O LEU A 90 6.846 7.470 1.731 1.00 0.00 O ATOM 1386 CB LEU A 90 5.981 6.170 4.528 1.00 0.00 C ATOM 1387 CG LEU A 90 6.557 4.758 4.794 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.551 4.771 5.986 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.381 3.817 5.130 1.00 0.00 C ATOM 0 H LEU A 90 5.513 8.585 3.485 1.00 0.00 H new ATOM 0 HA LEU A 90 7.893 7.209 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.514 6.532 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.193 6.087 3.780 1.00 0.00 H new ATOM 0 HG LEU A 90 7.094 4.420 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.938 3.765 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.377 5.446 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.037 5.111 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.761 2.814 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.863 4.184 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.687 3.787 4.290 1.00 0.00 H new ATOM 1401 N VAL A 91 8.512 6.109 2.463 1.00 0.00 N ATOM 1402 CA VAL A 91 9.108 5.929 1.145 1.00 0.00 C ATOM 1403 C VAL A 91 9.441 4.476 0.925 1.00 0.00 C ATOM 1404 O VAL A 91 9.861 3.863 1.889 1.00 0.00 O ATOM 1405 CB VAL A 91 10.420 6.762 1.104 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.053 6.773 -0.313 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.218 8.206 1.641 1.00 0.00 C ATOM 0 H VAL A 91 8.956 5.572 3.208 1.00 0.00 H new ATOM 0 HA VAL A 91 8.413 6.252 0.370 1.00 0.00 H new ATOM 0 HB VAL A 91 11.121 6.266 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.968 7.366 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.287 5.752 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.349 7.209 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.163 8.748 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.473 8.719 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.876 8.165 2.675 1.00 0.00 H new ATOM 1417 N VAL A 92 9.299 3.909 -0.294 1.00 0.00 N ATOM 1418 CA VAL A 92 9.797 2.561 -0.549 1.00 0.00 C ATOM 1419 C VAL A 92 10.085 2.375 -2.020 1.00 0.00 C ATOM 1420 O VAL A 92 9.512 3.086 -2.831 1.00 0.00 O ATOM 1421 CB VAL A 92 8.811 1.491 0.001 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.453 1.549 -0.729 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.359 0.043 -0.104 1.00 0.00 C ATOM 0 H VAL A 92 8.853 4.360 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 92 10.737 2.426 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 92 8.685 1.736 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.788 0.788 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.007 2.534 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.604 1.366 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.623 -0.654 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.555 -0.197 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.284 -0.038 0.467 1.00 0.00 H new ATOM 1433 N ASN A 93 10.983 1.422 -2.360 1.00 0.00 N ATOM 1434 CA ASN A 93 11.350 1.182 -3.750 1.00 0.00 C ATOM 1435 C ASN A 93 11.701 -0.284 -3.906 1.00 0.00 C ATOM 1436 O ASN A 93 12.635 -0.720 -3.249 1.00 0.00 O ATOM 1437 CB ASN A 93 12.524 2.109 -4.147 1.00 0.00 C ATOM 1438 CG ASN A 93 13.661 2.011 -3.157 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.618 1.300 -3.423 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.585 2.712 -2.002 1.00 0.00 N ATOM 0 H ASN A 93 11.456 0.818 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 93 10.520 1.411 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.881 1.841 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.174 3.140 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.342 2.656 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.771 3.296 -1.813 1.00 0.00 H new ATOM 1447 N PHE A 94 10.959 -1.042 -4.752 1.00 0.00 N ATOM 1448 CA PHE A 94 11.187 -2.479 -4.918 1.00 0.00 C ATOM 1449 C PHE A 94 11.832 -2.646 -6.278 1.00 0.00 C ATOM 1450 O PHE A 94 11.628 -1.745 -7.077 1.00 0.00 O ATOM 1451 CB PHE A 94 9.818 -3.229 -4.961 1.00 0.00 C ATOM 1452 CG PHE A 94 8.838 -2.837 -3.846 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.031 -1.696 -3.940 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.731 -3.648 -2.713 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.189 -1.326 -2.888 1.00 0.00 C ATOM 1456 CE2 PHE A 94 7.929 -3.251 -1.643 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.160 -2.094 -1.722 1.00 0.00 C ATOM 0 H PHE A 94 10.201 -0.672 -5.325 1.00 0.00 H new ATOM 0 HA PHE A 94 11.796 -2.871 -4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.345 -3.040 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.004 -4.301 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.060 -1.095 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.270 -4.583 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.563 -0.450 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.905 -3.848 -0.743 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.545 -1.792 -0.887 1.00 0.00 H new ATOM 1467 N PRO A 95 12.577 -3.724 -6.634 1.00 0.00 N ATOM 1468 CA PRO A 95 13.034 -3.868 -8.013 1.00 0.00 C ATOM 1469 C PRO A 95 11.844 -4.296 -8.846 1.00 0.00 C ATOM 1470 O PRO A 95 11.793 -5.439 -9.271 1.00 0.00 O ATOM 1471 CB PRO A 95 14.099 -4.976 -7.810 1.00 0.00 C ATOM 1472 CG PRO A 95 13.527 -5.825 -6.651 1.00 0.00 C ATOM 1473 CD PRO A 95 12.951 -4.763 -5.685 1.00 0.00 C ATOM 0 HA PRO A 95 13.435 -2.993 -8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.235 -5.571 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.072 -4.555 -7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.756 -6.513 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.300 -6.427 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.097 -5.136 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.688 -4.418 -4.960 1.00 0.00 H new ATOM 1481 N ASN A 96 10.872 -3.378 -9.070 1.00 0.00 N ATOM 1482 CA ASN A 96 9.589 -3.750 -9.676 1.00 0.00 C ATOM 1483 C ASN A 96 8.658 -2.555 -9.776 1.00 0.00 C ATOM 1484 O ASN A 96 8.086 -2.356 -10.834 1.00 0.00 O ATOM 1485 CB ASN A 96 8.863 -4.834 -8.835 1.00 0.00 C ATOM 1486 CG ASN A 96 7.500 -5.172 -9.397 1.00 0.00 C ATOM 1487 OD1 ASN A 96 6.501 -4.823 -8.789 1.00 0.00 O ATOM 1488 ND2 ASN A 96 7.424 -5.855 -10.560 1.00 0.00 N ATOM 0 H ASN A 96 10.959 -2.388 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 96 9.820 -4.133 -10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.474 -5.736 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.755 -4.484 -7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.513 -6.093 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.277 -6.133 -11.045 1.00 0.00 H new ATOM 1495 N TYR A 97 8.496 -1.766 -8.687 1.00 0.00 N ATOM 1496 CA TYR A 97 7.654 -0.568 -8.693 1.00 0.00 C ATOM 1497 C TYR A 97 8.163 0.355 -7.600 1.00 0.00 C ATOM 1498 O TYR A 97 9.133 -0.007 -6.953 1.00 0.00 O ATOM 1499 CB TYR A 97 6.161 -0.954 -8.506 1.00 0.00 C ATOM 1500 CG TYR A 97 5.720 -1.227 -7.059 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.076 -2.421 -6.429 1.00 0.00 C ATOM 1502 CD2 TYR A 97 4.928 -0.311 -6.356 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.539 -2.751 -5.181 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.335 -0.670 -5.142 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.647 -1.887 -4.540 1.00 0.00 C ATOM 1506 OH TYR A 97 4.064 -2.213 -3.313 1.00 0.00 O ATOM 0 H TYR A 97 8.946 -1.949 -7.790 1.00 0.00 H new ATOM 0 HA TYR A 97 7.712 -0.048 -9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.544 -0.151 -8.909 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.957 -1.843 -9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.771 -3.094 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.774 0.681 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.816 -3.682 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.632 -0.001 -4.669 1.00 0.00 H new ATOM 0 HH TYR A 97 4.747 -2.192 -2.610 1.00 0.00 H new ATOM 1516 N HIS A 98 7.539 1.530 -7.369 1.00 0.00 N ATOM 1517 CA HIS A 98 7.946 2.421 -6.281 1.00 0.00 C ATOM 1518 C HIS A 98 6.696 2.918 -5.607 1.00 0.00 C ATOM 1519 O HIS A 98 5.665 2.949 -6.258 1.00 0.00 O ATOM 1520 CB HIS A 98 8.781 3.616 -6.815 1.00 0.00 C ATOM 1521 CG HIS A 98 8.796 4.838 -5.918 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.765 5.602 -5.620 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.890 5.328 -5.304 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.137 6.572 -4.849 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.362 6.473 -4.617 1.00 0.00 N ATOM 0 H HIS A 98 6.756 1.875 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 98 8.576 1.879 -5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.808 3.283 -6.968 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.391 3.905 -7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.904 4.956 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.490 7.347 -4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.903 7.108 -4.030 1.00 0.00 H new ATOM 1533 N GLN A 99 6.766 3.321 -4.318 1.00 0.00 N ATOM 1534 CA GLN A 99 5.567 3.814 -3.647 1.00 0.00 C ATOM 1535 C GLN A 99 5.984 4.723 -2.516 1.00 0.00 C ATOM 1536 O GLN A 99 7.068 4.524 -1.992 1.00 0.00 O ATOM 1537 CB GLN A 99 4.741 2.578 -3.202 1.00 0.00 C ATOM 1538 CG GLN A 99 3.355 2.873 -2.567 1.00 0.00 C ATOM 1539 CD GLN A 99 3.434 3.517 -1.205 1.00 0.00 C ATOM 1540 OE1 GLN A 99 2.929 4.616 -1.047 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.049 2.857 -0.198 1.00 0.00 N ATOM 0 H GLN A 99 7.612 3.312 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 99 4.930 4.414 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.591 1.936 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.333 2.010 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.791 3.525 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.797 1.940 -2.486 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.461 1.939 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.101 3.277 0.730 1.00 0.00 H new ATOM 1550 N THR A 100 5.156 5.724 -2.145 1.00 0.00 N ATOM 1551 CA THR A 100 5.492 6.613 -1.032 1.00 0.00 C ATOM 1552 C THR A 100 4.202 6.851 -0.281 1.00 0.00 C ATOM 1553 O THR A 100 3.342 7.505 -0.851 1.00 0.00 O ATOM 1554 CB THR A 100 6.043 7.966 -1.573 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.410 8.292 -2.819 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.580 7.958 -1.785 1.00 0.00 C ATOM 0 H THR A 100 4.265 5.928 -2.598 1.00 0.00 H new ATOM 0 HA THR A 100 6.257 6.174 -0.391 1.00 0.00 H new ATOM 0 HB THR A 100 5.817 8.713 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.440 8.178 -2.733 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.900 8.929 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.077 7.756 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.844 7.184 -2.505 1.00 0.00 H new ATOM 1564 N SER A 101 4.028 6.327 0.959 1.00 0.00 N ATOM 1565 CA SER A 101 2.763 6.541 1.660 1.00 0.00 C ATOM 1566 C SER A 101 2.826 7.873 2.360 1.00 0.00 C ATOM 1567 O SER A 101 3.925 8.389 2.485 1.00 0.00 O ATOM 1568 CB SER A 101 2.361 5.415 2.639 1.00 0.00 C ATOM 1569 OG SER A 101 0.984 5.626 2.986 1.00 0.00 O ATOM 0 H SER A 101 4.722 5.778 1.466 1.00 0.00 H new ATOM 0 HA SER A 101 1.975 6.530 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.496 4.437 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.990 5.436 3.529 1.00 0.00 H new ATOM 0 HG SER A 101 0.553 6.173 2.297 1.00 0.00 H new ATOM 1575 N GLU A 102 1.683 8.450 2.801 1.00 0.00 N ATOM 1576 CA GLU A 102 1.704 9.828 3.294 1.00 0.00 C ATOM 1577 C GLU A 102 0.487 10.089 4.165 1.00 0.00 C ATOM 1578 O GLU A 102 -0.581 10.306 3.618 1.00 0.00 O ATOM 1579 CB GLU A 102 1.798 10.721 2.022 1.00 0.00 C ATOM 1580 CG GLU A 102 1.994 12.230 2.330 1.00 0.00 C ATOM 1581 CD GLU A 102 0.716 12.900 2.753 1.00 0.00 C ATOM 1582 OE1 GLU A 102 -0.299 12.748 2.021 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.724 13.594 3.805 1.00 0.00 O ATOM 0 H GLU A 102 0.771 7.994 2.822 1.00 0.00 H new ATOM 0 HA GLU A 102 2.550 10.048 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.628 10.374 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.890 10.595 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.738 12.343 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.388 12.730 1.445 1.00 0.00 H new ATOM 1590 N ILE A 103 0.612 10.061 5.517 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.550 10.298 6.385 1.00 0.00 C ATOM 1592 C ILE A 103 -1.045 11.717 6.224 1.00 0.00 C ATOM 1593 O ILE A 103 -0.216 12.589 6.025 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.242 10.013 7.893 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.159 8.493 8.187 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.199 10.727 8.891 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.518 7.780 8.401 1.00 0.00 C ATOM 0 H ILE A 103 1.486 9.881 6.011 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.325 9.598 6.072 1.00 0.00 H new ATOM 0 HB ILE A 103 0.740 10.453 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.359 8.008 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.453 8.346 9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.914 10.475 9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.131 11.806 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.223 10.401 8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.347 6.722 8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.035 8.229 9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.130 7.887 7.505 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.378 11.956 6.326 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.920 13.315 6.238 1.00 0.00 C ATOM 1611 C VAL A 104 -3.847 13.510 7.420 1.00 0.00 C ATOM 1612 O VAL A 104 -5.048 13.357 7.265 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.645 13.528 4.875 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -4.228 14.965 4.752 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.679 13.260 3.693 1.00 0.00 C ATOM 0 H VAL A 104 -3.079 11.229 6.467 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.125 14.059 6.276 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.471 12.817 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.726 15.075 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.947 15.136 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.420 15.693 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.205 13.414 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.833 13.944 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.319 12.232 3.743 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.305 13.847 8.615 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.153 14.095 9.778 1.00 0.00 C ATOM 1627 C GLY A 105 -4.923 12.849 10.145 1.00 0.00 C ATOM 1628 O GLY A 105 -4.455 12.097 10.985 1.00 0.00 O ATOM 0 H GLY A 105 -2.304 13.949 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.540 14.413 10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.846 14.908 9.563 1.00 0.00 H new ATOM 1632 N ASP A 106 -6.098 12.626 9.511 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.916 11.451 9.804 1.00 0.00 C ATOM 1634 C ASP A 106 -7.243 10.766 8.499 1.00 0.00 C ATOM 1635 O ASP A 106 -8.406 10.563 8.193 1.00 0.00 O ATOM 1636 CB ASP A 106 -8.178 11.902 10.581 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.753 12.545 11.876 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.487 13.778 11.871 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.676 11.823 12.906 1.00 0.00 O ATOM 0 H ASP A 106 -6.489 13.245 8.801 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.389 10.734 10.434 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.757 12.606 9.983 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.824 11.047 10.779 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.190 10.411 7.732 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.355 9.692 6.465 1.00 0.00 C ATOM 1646 C LYS A 107 -5.078 8.910 6.262 1.00 0.00 C ATOM 1647 O LYS A 107 -4.129 9.152 6.990 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.481 10.683 5.267 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.768 10.481 4.423 1.00 0.00 C ATOM 1650 CD LYS A 107 -9.082 10.926 5.127 1.00 0.00 C ATOM 1651 CE LYS A 107 -9.086 12.390 5.653 1.00 0.00 C ATOM 1652 NZ LYS A 107 -10.437 12.788 6.115 1.00 0.00 N ATOM 0 H LYS A 107 -5.220 10.614 7.974 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.250 9.071 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.464 11.704 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.611 10.569 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.666 11.036 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.852 9.427 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.909 10.805 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.272 10.255 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.375 12.487 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.755 13.064 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.411 13.769 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.109 12.717 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.740 12.158 6.885 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.034 8.014 5.256 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.779 7.369 4.879 1.00 0.00 C ATOM 1668 C LEU A 108 -3.814 7.305 3.373 1.00 0.00 C ATOM 1669 O LEU A 108 -4.720 6.649 2.887 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.711 5.957 5.512 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.540 5.088 4.962 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.269 5.301 5.828 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.922 3.586 4.932 1.00 0.00 C ATOM 0 H LEU A 108 -5.843 7.730 4.703 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.898 7.907 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.604 6.056 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.653 5.440 5.331 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.334 5.403 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.456 4.690 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.980 6.352 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.478 5.011 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.085 3.005 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.159 3.251 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.791 3.444 4.289 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.886 7.960 2.632 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.959 7.938 1.170 1.00 0.00 C ATOM 1687 C VAL A 109 -1.684 7.354 0.625 1.00 0.00 C ATOM 1688 O VAL A 109 -0.705 7.331 1.354 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.287 9.351 0.593 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.226 10.122 1.559 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.016 10.187 0.296 1.00 0.00 C ATOM 0 H VAL A 109 -2.105 8.491 3.018 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.783 7.300 0.850 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.793 9.195 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.447 11.106 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.154 9.565 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.737 10.237 2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.305 11.159 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.449 10.326 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.399 9.664 -0.435 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.690 6.882 -0.645 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.488 6.295 -1.227 1.00 0.00 C ATOM 1703 C GLU A 110 -0.330 6.738 -2.659 1.00 0.00 C ATOM 1704 O GLU A 110 -1.330 7.113 -3.249 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.523 4.747 -1.165 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.682 4.234 0.289 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.643 2.731 0.388 1.00 0.00 C ATOM 1708 OE1 GLU A 110 0.158 2.098 -0.352 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.412 2.167 1.214 1.00 0.00 O ATOM 0 H GLU A 110 -2.501 6.901 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 110 0.363 6.642 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.348 4.377 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.395 4.345 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.112 4.654 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.627 4.595 0.695 1.00 0.00 H new ATOM 1716 N VAL A 111 0.908 6.699 -3.210 1.00 0.00 N ATOM 1717 CA VAL A 111 1.131 7.070 -4.607 1.00 0.00 C ATOM 1718 C VAL A 111 2.048 6.010 -5.178 1.00 0.00 C ATOM 1719 O VAL A 111 3.250 6.128 -5.003 1.00 0.00 O ATOM 1720 CB VAL A 111 1.739 8.497 -4.688 1.00 0.00 C ATOM 1721 CG1 VAL A 111 1.965 8.917 -6.165 1.00 0.00 C ATOM 1722 CG2 VAL A 111 0.815 9.524 -3.981 1.00 0.00 C ATOM 0 H VAL A 111 1.749 6.417 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 111 0.206 7.109 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 111 2.703 8.481 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.391 9.920 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.650 8.216 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.012 8.911 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.257 10.518 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.162 9.528 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.699 9.248 -2.933 1.00 0.00 H new ATOM 1732 N SER A 112 1.503 4.965 -5.846 1.00 0.00 N ATOM 1733 CA SER A 112 2.366 3.906 -6.381 1.00 0.00 C ATOM 1734 C SER A 112 3.028 4.423 -7.634 1.00 0.00 C ATOM 1735 O SER A 112 2.669 5.505 -8.067 1.00 0.00 O ATOM 1736 CB SER A 112 1.599 2.585 -6.632 1.00 0.00 C ATOM 1737 OG SER A 112 2.440 1.466 -6.325 1.00 0.00 O ATOM 0 H SER A 112 0.505 4.841 -6.019 1.00 0.00 H new ATOM 0 HA SER A 112 3.126 3.657 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.699 2.554 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.276 2.534 -7.672 1.00 0.00 H new ATOM 0 HG SER A 112 2.270 0.744 -6.965 1.00 0.00 H new ATOM 1743 N THR A 113 3.992 3.690 -8.232 1.00 0.00 N ATOM 1744 CA THR A 113 4.729 4.236 -9.373 1.00 0.00 C ATOM 1745 C THR A 113 5.491 3.148 -10.079 1.00 0.00 C ATOM 1746 O THR A 113 5.860 2.213 -9.391 1.00 0.00 O ATOM 1747 CB THR A 113 5.741 5.280 -8.841 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.037 6.450 -8.388 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.829 5.655 -9.876 1.00 0.00 C ATOM 0 H THR A 113 4.266 2.749 -7.949 1.00 0.00 H new ATOM 0 HA THR A 113 4.026 4.688 -10.073 1.00 0.00 H new ATOM 0 HB THR A 113 6.269 4.823 -8.004 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.082 6.355 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.506 6.390 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.391 4.763 -10.153 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.357 6.076 -10.764 1.00 0.00 H new ATOM 1757 N ILE A 114 5.752 3.230 -11.406 1.00 0.00 N ATOM 1758 CA ILE A 114 6.488 2.148 -12.057 1.00 0.00 C ATOM 1759 C ILE A 114 7.145 2.538 -13.368 1.00 0.00 C ATOM 1760 O ILE A 114 8.335 2.296 -13.507 1.00 0.00 O ATOM 1761 CB ILE A 114 5.578 0.888 -12.185 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.415 -0.320 -12.675 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.311 1.119 -13.050 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.620 -1.645 -12.641 1.00 0.00 C ATOM 0 H ILE A 114 5.474 4.001 -12.013 1.00 0.00 H new ATOM 0 HA ILE A 114 7.332 1.904 -11.411 1.00 0.00 H new ATOM 0 HB ILE A 114 5.192 0.666 -11.190 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.757 -0.132 -13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.304 -0.418 -12.053 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.727 0.199 -13.093 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.707 1.911 -12.607 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.607 1.409 -14.058 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.254 -2.459 -12.994 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.300 -1.851 -11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.745 -1.561 -13.285 1.00 0.00 H new ATOM 1776 N GLY A 115 6.430 3.129 -14.353 1.00 0.00 N ATOM 1777 CA GLY A 115 7.062 3.441 -15.634 1.00 0.00 C ATOM 1778 C GLY A 115 6.242 4.471 -16.374 1.00 0.00 C ATOM 1779 O GLY A 115 5.618 4.138 -17.369 1.00 0.00 O ATOM 0 H GLY A 115 5.446 3.389 -14.281 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.072 3.817 -15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.153 2.536 -16.235 1.00 0.00 H new ATOM 1783 N GLY A 116 6.222 5.728 -15.875 1.00 0.00 N ATOM 1784 CA GLY A 116 5.343 6.735 -16.462 1.00 0.00 C ATOM 1785 C GLY A 116 3.900 6.441 -16.121 1.00 0.00 C ATOM 1786 O GLY A 116 3.034 6.846 -16.881 1.00 0.00 O ATOM 0 H GLY A 116 6.790 6.052 -15.092 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.616 7.724 -16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.471 6.752 -17.544 1.00 0.00 H new ATOM 1790 N VAL A 117 3.625 5.754 -14.983 1.00 0.00 N ATOM 1791 CA VAL A 117 2.252 5.440 -14.586 1.00 0.00 C ATOM 1792 C VAL A 117 2.217 5.452 -13.073 1.00 0.00 C ATOM 1793 O VAL A 117 3.239 5.145 -12.481 1.00 0.00 O ATOM 1794 CB VAL A 117 1.775 4.057 -15.127 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.284 3.787 -14.775 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.962 3.965 -16.666 1.00 0.00 C ATOM 0 H VAL A 117 4.338 5.415 -14.337 1.00 0.00 H new ATOM 0 HA VAL A 117 1.573 6.180 -15.011 1.00 0.00 H new ATOM 0 HB VAL A 117 2.392 3.300 -14.643 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.012 2.815 -15.168 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.159 3.794 -13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.341 4.563 -15.218 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.621 2.991 -17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.380 4.749 -17.151 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.016 4.091 -16.913 1.00 0.00 H new ATOM 1806 N THR A 118 1.075 5.809 -12.444 1.00 0.00 N ATOM 1807 CA THR A 118 1.008 5.913 -10.986 1.00 0.00 C ATOM 1808 C THR A 118 -0.311 5.336 -10.538 1.00 0.00 C ATOM 1809 O THR A 118 -1.175 5.187 -11.384 1.00 0.00 O ATOM 1810 CB THR A 118 1.118 7.430 -10.642 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.478 7.872 -10.789 1.00 0.00 O ATOM 1812 CG2 THR A 118 0.558 7.832 -9.252 1.00 0.00 C ATOM 0 H THR A 118 0.202 6.026 -12.924 1.00 0.00 H new ATOM 0 HA THR A 118 1.806 5.367 -10.482 1.00 0.00 H new ATOM 0 HB THR A 118 0.474 7.939 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.537 8.826 -10.573 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.680 8.905 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.500 7.577 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.100 7.296 -8.473 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.499 5.018 -9.237 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.831 4.687 -8.732 1.00 0.00 C ATOM 1822 C TYR A 119 -2.012 5.465 -7.446 1.00 0.00 C ATOM 1823 O TYR A 119 -1.593 4.976 -6.408 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.926 3.162 -8.453 1.00 0.00 C ATOM 1825 CG TYR A 119 -3.171 2.689 -7.683 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.259 3.521 -7.409 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -3.215 1.365 -7.227 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -5.289 3.088 -6.575 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -4.290 0.903 -6.461 1.00 0.00 C ATOM 1830 CZ TYR A 119 -5.341 1.766 -6.130 1.00 0.00 C ATOM 1831 OH TYR A 119 -6.430 1.341 -5.360 1.00 0.00 O ATOM 0 H TYR A 119 0.244 4.986 -8.539 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.604 4.943 -9.456 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.893 2.636 -9.407 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.041 2.860 -7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.303 4.507 -7.847 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.407 0.691 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.056 3.784 -6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -4.309 -0.123 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.319 0.395 -5.130 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.639 6.666 -7.481 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.888 7.395 -6.238 1.00 0.00 C ATOM 1843 C GLU A 120 -4.083 6.796 -5.537 1.00 0.00 C ATOM 1844 O GLU A 120 -4.973 6.319 -6.222 1.00 0.00 O ATOM 1845 CB GLU A 120 -3.023 8.919 -6.476 1.00 0.00 C ATOM 1846 CG GLU A 120 -3.365 9.696 -5.179 1.00 0.00 C ATOM 1847 CD GLU A 120 -3.455 11.170 -5.478 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -4.531 11.615 -5.964 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -2.452 11.895 -5.232 1.00 0.00 O ATOM 0 H GLU A 120 -2.967 7.128 -8.329 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.025 7.287 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.090 9.303 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.800 9.100 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.310 9.340 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.601 9.515 -4.423 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.118 6.793 -4.180 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.162 6.052 -3.472 1.00 0.00 C ATOM 1858 C ARG A 121 -5.368 6.701 -2.130 1.00 0.00 C ATOM 1859 O ARG A 121 -4.414 7.305 -1.671 1.00 0.00 O ATOM 1860 CB ARG A 121 -4.675 4.583 -3.365 1.00 0.00 C ATOM 1861 CG ARG A 121 -5.628 3.646 -2.571 1.00 0.00 C ATOM 1862 CD ARG A 121 -5.318 3.611 -1.044 1.00 0.00 C ATOM 1863 NE ARG A 121 -4.251 2.619 -0.820 1.00 0.00 N ATOM 1864 CZ ARG A 121 -4.391 1.420 -0.283 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -5.512 0.941 0.208 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -3.336 0.635 -0.232 1.00 0.00 N ATOM 0 H ARG A 121 -3.453 7.282 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.123 6.062 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.546 4.182 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.695 4.572 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.657 3.974 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.554 2.636 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.003 4.595 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.211 3.344 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.310 2.885 -1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.360 1.508 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.534 0.002 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.442 0.958 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.413 -0.296 0.177 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.571 6.623 -1.512 1.00 0.00 N ATOM 1881 CA VAL A 122 -6.855 7.446 -0.339 1.00 0.00 C ATOM 1882 C VAL A 122 -7.560 6.593 0.690 1.00 0.00 C ATOM 1883 O VAL A 122 -8.779 6.617 0.751 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.717 8.647 -0.831 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -7.870 9.723 0.276 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -7.139 9.289 -2.126 1.00 0.00 C ATOM 0 H VAL A 122 -7.334 6.013 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.956 7.835 0.138 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.703 8.247 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -8.477 10.547 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -8.355 9.282 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.886 10.096 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.772 10.122 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -6.129 9.652 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.111 8.543 -2.920 1.00 0.00 H new ATOM 1896 N SER A 123 -6.817 5.820 1.516 1.00 0.00 N ATOM 1897 CA SER A 123 -7.493 4.984 2.499 1.00 0.00 C ATOM 1898 C SER A 123 -8.047 5.894 3.587 1.00 0.00 C ATOM 1899 O SER A 123 -7.257 6.439 4.341 1.00 0.00 O ATOM 1900 CB SER A 123 -6.558 3.893 3.074 1.00 0.00 C ATOM 1901 OG SER A 123 -5.900 3.188 2.011 1.00 0.00 O ATOM 0 H SER A 123 -5.798 5.766 1.515 1.00 0.00 H new ATOM 0 HA SER A 123 -8.310 4.443 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.817 4.349 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.134 3.194 3.681 1.00 0.00 H new ATOM 0 HG SER A 123 -5.311 2.502 2.389 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.386 6.087 3.690 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.969 6.960 4.725 1.00 0.00 C ATOM 1909 C LYS A 124 -9.758 6.349 6.100 1.00 0.00 C ATOM 1910 O LYS A 124 -9.215 5.262 6.139 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.496 7.190 4.457 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.870 8.638 4.059 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.315 9.116 2.691 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.811 8.216 1.531 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.735 8.892 0.216 1.00 0.00 N ATOM 0 H LYS A 124 -10.072 5.652 3.073 1.00 0.00 H new ATOM 0 HA LYS A 124 -9.467 7.927 4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.818 6.515 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.054 6.918 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.957 8.723 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.510 9.314 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.624 10.146 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -10.225 9.110 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.214 7.304 1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.841 7.917 1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.914 8.201 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.449 9.647 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -10.788 9.304 0.092 1.00 0.00 H new ATOM 1929 N ARG A 125 -10.161 7.017 7.214 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.796 6.606 8.582 1.00 0.00 C ATOM 1931 C ARG A 125 -10.978 5.994 9.311 1.00 0.00 C ATOM 1932 O ARG A 125 -11.531 6.608 10.208 1.00 0.00 O ATOM 1933 CB ARG A 125 -9.185 7.849 9.305 1.00 0.00 C ATOM 1934 CG ARG A 125 -8.880 7.720 10.830 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.163 6.400 11.198 1.00 0.00 C ATOM 1936 NE ARG A 125 -7.741 6.372 12.602 1.00 0.00 N ATOM 1937 CZ ARG A 125 -8.518 6.025 13.609 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -9.791 5.721 13.483 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -7.993 5.981 14.814 1.00 0.00 N ATOM 0 H ARG A 125 -10.746 7.852 7.181 1.00 0.00 H new ATOM 0 HA ARG A 125 -9.047 5.815 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -8.256 8.110 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -9.869 8.687 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.262 8.561 11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -9.814 7.786 11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.830 5.560 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.292 6.270 10.556 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.780 6.639 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.233 5.746 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.337 5.460 14.304 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -7.009 6.212 14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.570 5.716 15.612 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.358 4.756 8.918 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.489 4.031 9.500 1.00 0.00 C ATOM 1955 C LEU A 126 -12.452 2.617 8.943 1.00 0.00 C ATOM 1956 O LEU A 126 -11.397 2.223 8.469 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.820 4.778 9.192 1.00 0.00 C ATOM 1958 CG LEU A 126 -14.325 4.632 7.723 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -15.405 5.706 7.452 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -13.175 4.792 6.703 1.00 0.00 C ATOM 0 H LEU A 126 -10.879 4.237 8.182 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.423 3.980 10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.593 4.408 9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.686 5.837 9.412 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.740 3.631 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -15.763 5.611 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -16.237 5.567 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.976 6.698 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -13.568 4.684 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.725 5.779 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.420 4.027 6.883 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.559 1.843 8.945 1.00 0.00 N ATOM 1973 CA ALA A 127 -13.541 0.530 8.300 1.00 0.00 C ATOM 1974 C ALA A 127 -14.946 0.129 7.922 1.00 0.00 C ATOM 1975 O ALA A 127 -15.428 -0.938 8.267 1.00 0.00 O ATOM 1976 CB ALA A 127 -12.847 -0.537 9.185 1.00 0.00 C ATOM 0 H ALA A 127 -14.447 2.102 9.375 1.00 0.00 H new ATOM 0 HA ALA A 127 -12.947 0.598 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.855 -1.498 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.817 -0.236 9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -13.381 -0.628 10.131 1.00 0.00 H new TER 1982 ALA A 127