USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 98 LYS NZ :NH3+ -154:sc= -4.16! (180deg=-5.21!) USER MOD Set 1.2: A 111 THR OG1 : rot 21:sc= -2.78! USER MOD Set 2.1: A 96 HIS : no HE2:sc= -15! C(o=-15!,f=-15!) USER MOD Set 2.2: A 114 GLN : amide:sc= -0.219 K(o=-15,f=-15) USER MOD Set 3.1: A 53 GLN : amide:sc= -1.73 K(o=-13,f=-13!) USER MOD Set 3.2: A 59 ASN : amide:sc= -8.42! C(o=-13!,f=-14!) USER MOD Set 3.3: A 61 TYR OH : rot -175:sc= -2.37 USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 40 TYR OH : rot -120:sc= -7! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -118:sc= -2.04! USER MOD Single : A 22 GLN : amide:sc= -13.2! C(o=-13!,f=-7.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.774 K(o=-0.77,f=-0.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.98! C(o=-5!,f=-6.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.2! C(o=-5.2!,f=-7.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0985 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.0248 (180deg=-0.0248) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 60 TYR OH : rot 15:sc= -2.11! USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.292 (180deg=-1.17) USER MOD Single : A 92 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.72) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0706 USER MOD Single : A 95 MET CE :methyl 178:sc= -10.7! (180deg=-10.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 70:sc= 0.977 USER MOD Single : A 105 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.3!) USER MOD Single : A 105AASN : amide:sc= -0.595 X(o=-0.6,f=-0.76) USER MOD Single : A 113 TYR OH : rot -27:sc= -0.576 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -3.85! K(o=-3.8!,f=-0.44) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.14! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -20.052 12.104 8.555 1.00 0.00 N ATOM 2 CA MET A 6 -19.667 10.846 9.257 1.00 0.00 C ATOM 3 C MET A 6 -18.488 10.198 8.528 1.00 0.00 C ATOM 4 O MET A 6 -18.354 10.309 7.326 1.00 0.00 O ATOM 5 CB MET A 6 -20.853 9.879 9.263 1.00 0.00 C ATOM 6 CG MET A 6 -20.778 8.987 10.504 1.00 0.00 C ATOM 7 SD MET A 6 -21.271 7.301 10.071 1.00 0.00 S ATOM 8 CE MET A 6 -22.211 6.946 11.576 1.00 0.00 C ATOM 0 HA MET A 6 -19.381 11.076 10.283 1.00 0.00 H new ATOM 0 HB2 MET A 6 -21.790 10.436 9.259 1.00 0.00 H new ATOM 0 HB3 MET A 6 -20.842 9.267 8.361 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.764 8.989 10.905 1.00 0.00 H new ATOM 0 HG3 MET A 6 -21.430 9.378 11.285 1.00 0.00 H new ATOM 0 HE1 MET A 6 -22.615 5.935 11.523 1.00 0.00 H new ATOM 0 HE2 MET A 6 -21.555 7.030 12.443 1.00 0.00 H new ATOM 0 HE3 MET A 6 -23.030 7.659 11.670 1.00 0.00 H new ATOM 20 N ILE A 7 -17.634 9.520 9.244 1.00 0.00 N ATOM 21 CA ILE A 7 -16.466 8.866 8.590 1.00 0.00 C ATOM 22 C ILE A 7 -15.854 7.841 9.548 1.00 0.00 C ATOM 23 O ILE A 7 -14.895 8.129 10.234 1.00 0.00 O ATOM 24 CB ILE A 7 -15.422 9.926 8.235 1.00 0.00 C ATOM 25 CG1 ILE A 7 -14.118 9.242 7.821 1.00 0.00 C ATOM 26 CG2 ILE A 7 -15.163 10.817 9.450 1.00 0.00 C ATOM 27 CD1 ILE A 7 -13.639 9.824 6.489 1.00 0.00 C ATOM 0 H ILE A 7 -17.695 9.391 10.254 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.792 8.361 7.681 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.792 10.534 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.358 9.388 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.272 8.167 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.419 11.572 9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.090 11.307 9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.795 10.208 10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.710 9.338 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.397 9.655 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.469 10.895 6.600 1.00 0.00 H new ATOM 39 N PRO A 8 -16.435 6.668 9.562 1.00 0.00 N ATOM 40 CA PRO A 8 -15.977 5.566 10.425 1.00 0.00 C ATOM 41 C PRO A 8 -14.737 4.897 9.820 1.00 0.00 C ATOM 42 O PRO A 8 -14.182 5.367 8.846 1.00 0.00 O ATOM 43 CB PRO A 8 -17.167 4.603 10.436 1.00 0.00 C ATOM 44 CG PRO A 8 -17.988 4.909 9.160 1.00 0.00 C ATOM 45 CD PRO A 8 -17.604 6.335 8.722 1.00 0.00 C ATOM 0 HA PRO A 8 -15.690 5.892 11.425 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.828 3.567 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.773 4.744 11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.764 4.188 8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.057 4.840 9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.356 6.373 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.423 7.036 8.883 1.00 0.00 H new ATOM 53 N GLY A 9 -14.299 3.805 10.387 1.00 0.00 N ATOM 54 CA GLY A 9 -13.097 3.111 9.837 1.00 0.00 C ATOM 55 C GLY A 9 -12.188 2.660 10.983 1.00 0.00 C ATOM 56 O GLY A 9 -11.899 3.412 11.894 1.00 0.00 O ATOM 0 H GLY A 9 -14.720 3.364 11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.403 2.250 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.553 3.780 9.171 1.00 0.00 H new ATOM 60 N GLY A 10 -11.730 1.437 10.944 1.00 0.00 N ATOM 61 CA GLY A 10 -10.837 0.943 12.030 1.00 0.00 C ATOM 62 C GLY A 10 -9.806 -0.023 11.455 1.00 0.00 C ATOM 63 O GLY A 10 -10.131 -1.090 10.971 1.00 0.00 O ATOM 0 H GLY A 10 -11.936 0.761 10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.334 1.783 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.427 0.444 12.799 1.00 0.00 H new ATOM 67 N LEU A 11 -8.568 0.355 11.502 1.00 0.00 N ATOM 68 CA LEU A 11 -7.486 -0.506 10.962 1.00 0.00 C ATOM 69 C LEU A 11 -7.510 -1.890 11.600 1.00 0.00 C ATOM 70 O LEU A 11 -7.695 -2.046 12.791 1.00 0.00 O ATOM 71 CB LEU A 11 -6.150 0.167 11.234 1.00 0.00 C ATOM 72 CG LEU A 11 -6.008 1.301 10.240 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.100 2.644 10.958 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.661 1.199 9.530 1.00 0.00 C ATOM 0 H LEU A 11 -8.252 1.240 11.899 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.636 -0.634 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.110 0.544 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.332 -0.545 11.125 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.813 1.229 9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.997 3.452 10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.066 2.725 11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.303 2.716 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.563 2.017 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.857 1.260 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.599 0.247 9.002 1.00 0.00 H new ATOM 86 N SER A 12 -7.310 -2.892 10.795 1.00 0.00 N ATOM 87 CA SER A 12 -7.299 -4.289 11.309 1.00 0.00 C ATOM 88 C SER A 12 -5.850 -4.768 11.440 1.00 0.00 C ATOM 89 O SER A 12 -4.934 -4.142 10.946 1.00 0.00 O ATOM 90 CB SER A 12 -8.053 -5.192 10.332 1.00 0.00 C ATOM 91 OG SER A 12 -9.201 -4.504 9.851 1.00 0.00 O ATOM 0 H SER A 12 -7.152 -2.803 9.791 1.00 0.00 H new ATOM 0 HA SER A 12 -7.783 -4.327 12.285 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.405 -5.469 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.349 -6.117 10.827 1.00 0.00 H new ATOM 0 HG SER A 12 -9.687 -5.078 9.223 1.00 0.00 H new ATOM 97 N GLU A 13 -5.638 -5.872 12.100 1.00 0.00 N ATOM 98 CA GLU A 13 -4.254 -6.392 12.261 1.00 0.00 C ATOM 99 C GLU A 13 -3.556 -6.413 10.900 1.00 0.00 C ATOM 100 O GLU A 13 -4.130 -6.053 9.893 1.00 0.00 O ATOM 101 CB GLU A 13 -4.301 -7.811 12.831 1.00 0.00 C ATOM 102 CG GLU A 13 -3.153 -8.012 13.823 1.00 0.00 C ATOM 103 CD GLU A 13 -2.904 -9.507 14.017 1.00 0.00 C ATOM 104 OE1 GLU A 13 -2.184 -10.078 13.212 1.00 0.00 O ATOM 105 OE2 GLU A 13 -3.440 -10.060 14.963 1.00 0.00 O ATOM 0 H GLU A 13 -6.367 -6.437 12.536 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.702 -5.746 12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.256 -7.981 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.227 -8.539 12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.250 -7.527 13.453 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.397 -7.546 14.778 1.00 0.00 H new ATOM 112 N ALA A 14 -2.322 -6.834 10.859 1.00 0.00 N ATOM 113 CA ALA A 14 -1.604 -6.872 9.553 1.00 0.00 C ATOM 114 C ALA A 14 -2.123 -8.009 8.702 1.00 0.00 C ATOM 115 O ALA A 14 -1.651 -9.125 8.795 1.00 0.00 O ATOM 116 CB ALA A 14 -0.112 -7.117 9.747 1.00 0.00 C ATOM 0 H ALA A 14 -1.783 -7.151 11.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.771 -5.907 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.382 -7.139 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.313 -6.316 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.037 -8.071 10.252 1.00 0.00 H new ATOM 122 N LYS A 15 -3.030 -7.743 7.824 1.00 0.00 N ATOM 123 CA LYS A 15 -3.474 -8.832 6.939 1.00 0.00 C ATOM 124 C LYS A 15 -2.276 -9.080 6.042 1.00 0.00 C ATOM 125 O LYS A 15 -1.694 -8.142 5.547 1.00 0.00 O ATOM 126 CB LYS A 15 -4.688 -8.395 6.119 1.00 0.00 C ATOM 127 CG LYS A 15 -5.936 -8.431 7.004 1.00 0.00 C ATOM 128 CD LYS A 15 -6.092 -9.829 7.605 1.00 0.00 C ATOM 129 CE LYS A 15 -5.618 -9.817 9.061 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.496 -10.702 9.877 1.00 0.00 N ATOM 0 H LYS A 15 -3.476 -6.837 7.681 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.782 -9.725 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.534 -7.389 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.818 -9.054 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.854 -7.689 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.819 -8.174 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.134 -10.144 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.512 -10.550 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.584 -10.157 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.642 -8.801 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.174 -10.694 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.476 -10.358 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.451 -11.673 9.506 1.00 0.00 H new ATOM 144 N PRO A 16 -1.893 -10.303 5.885 1.00 0.00 N ATOM 145 CA PRO A 16 -0.709 -10.605 5.085 1.00 0.00 C ATOM 146 C PRO A 16 -0.980 -10.231 3.625 1.00 0.00 C ATOM 147 O PRO A 16 -1.963 -10.644 3.041 1.00 0.00 O ATOM 148 CB PRO A 16 -0.494 -12.106 5.304 1.00 0.00 C ATOM 149 CG PRO A 16 -1.853 -12.667 5.788 1.00 0.00 C ATOM 150 CD PRO A 16 -2.598 -11.478 6.430 1.00 0.00 C ATOM 0 HA PRO A 16 0.185 -10.047 5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.177 -12.593 4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.287 -12.284 6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.423 -13.082 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.709 -13.472 6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.655 -11.473 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.545 -11.510 7.518 1.00 0.00 H new ATOM 158 N ALA A 17 -0.143 -9.410 3.050 1.00 0.00 N ATOM 159 CA ALA A 17 -0.383 -8.961 1.649 1.00 0.00 C ATOM 160 C ALA A 17 -0.717 -10.133 0.728 1.00 0.00 C ATOM 161 O ALA A 17 0.050 -11.061 0.566 1.00 0.00 O ATOM 162 CB ALA A 17 0.851 -8.245 1.105 1.00 0.00 C ATOM 0 H ALA A 17 0.696 -9.031 3.490 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.234 -8.281 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.663 -7.922 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.070 -7.376 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.703 -8.925 1.120 1.00 0.00 H new ATOM 168 N THR A 18 -1.848 -10.053 0.087 1.00 0.00 N ATOM 169 CA THR A 18 -2.261 -11.105 -0.886 1.00 0.00 C ATOM 170 C THR A 18 -1.834 -10.583 -2.260 1.00 0.00 C ATOM 171 O THR A 18 -1.183 -9.563 -2.319 1.00 0.00 O ATOM 172 CB THR A 18 -3.791 -11.290 -0.825 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.392 -10.690 -1.954 1.00 0.00 O ATOM 174 CG2 THR A 18 -4.359 -10.621 0.418 1.00 0.00 C ATOM 0 H THR A 18 -2.516 -9.290 0.197 1.00 0.00 H new ATOM 0 HA THR A 18 -1.806 -12.072 -0.671 1.00 0.00 H new ATOM 0 HB THR A 18 -4.001 -12.359 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.992 -9.972 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.440 -10.761 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.913 -11.067 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.132 -9.555 0.393 1.00 0.00 H new ATOM 182 N PRO A 19 -2.197 -11.237 -3.333 1.00 0.00 N ATOM 183 CA PRO A 19 -1.821 -10.738 -4.665 1.00 0.00 C ATOM 184 C PRO A 19 -2.563 -9.426 -4.957 1.00 0.00 C ATOM 185 O PRO A 19 -2.144 -8.626 -5.777 1.00 0.00 O ATOM 186 CB PRO A 19 -2.219 -11.875 -5.613 1.00 0.00 C ATOM 187 CG PRO A 19 -3.261 -12.725 -4.852 1.00 0.00 C ATOM 188 CD PRO A 19 -2.995 -12.490 -3.352 1.00 0.00 C ATOM 0 HA PRO A 19 -0.763 -10.498 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.639 -11.481 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.351 -12.476 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.275 -12.428 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.161 -13.781 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.924 -12.383 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.448 -13.321 -2.906 1.00 0.00 H new ATOM 196 N GLU A 20 -3.638 -9.174 -4.261 1.00 0.00 N ATOM 197 CA GLU A 20 -4.377 -7.903 -4.482 1.00 0.00 C ATOM 198 C GLU A 20 -3.683 -6.789 -3.702 1.00 0.00 C ATOM 199 O GLU A 20 -3.623 -5.655 -4.136 1.00 0.00 O ATOM 200 CB GLU A 20 -5.820 -8.050 -3.994 1.00 0.00 C ATOM 201 CG GLU A 20 -6.303 -9.480 -4.246 1.00 0.00 C ATOM 202 CD GLU A 20 -7.683 -9.445 -4.905 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.580 -8.856 -4.324 1.00 0.00 O ATOM 204 OE2 GLU A 20 -7.820 -10.007 -5.980 1.00 0.00 O ATOM 0 H GLU A 20 -4.034 -9.792 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.386 -7.663 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.881 -7.817 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.464 -7.341 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.596 -10.006 -4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.351 -10.030 -3.306 1.00 0.00 H new ATOM 211 N ILE A 21 -3.145 -7.108 -2.557 1.00 0.00 N ATOM 212 CA ILE A 21 -2.439 -6.073 -1.755 1.00 0.00 C ATOM 213 C ILE A 21 -1.160 -5.715 -2.513 1.00 0.00 C ATOM 214 O ILE A 21 -0.853 -4.557 -2.730 1.00 0.00 O ATOM 215 CB ILE A 21 -2.115 -6.625 -0.352 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.403 -6.847 0.471 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.236 -5.625 0.407 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.612 -7.140 -0.427 1.00 0.00 C ATOM 0 H ILE A 21 -3.164 -8.040 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.058 -5.186 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.599 -7.576 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.254 -7.677 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.605 -5.962 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.009 -6.019 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.308 -5.467 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.765 -4.677 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.497 -7.290 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.778 -6.299 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.421 -8.040 -1.012 1.00 0.00 H new ATOM 230 N GLN A 22 -0.433 -6.708 -2.962 1.00 0.00 N ATOM 231 CA GLN A 22 0.796 -6.428 -3.753 1.00 0.00 C ATOM 232 C GLN A 22 0.362 -5.858 -5.109 1.00 0.00 C ATOM 233 O GLN A 22 1.153 -5.306 -5.839 1.00 0.00 O ATOM 234 CB GLN A 22 1.629 -7.720 -3.914 1.00 0.00 C ATOM 235 CG GLN A 22 2.029 -7.963 -5.380 1.00 0.00 C ATOM 236 CD GLN A 22 3.110 -6.964 -5.822 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.624 -7.067 -6.919 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.485 -5.997 -5.024 1.00 0.00 N ATOM 0 H GLN A 22 -0.640 -7.696 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 22 1.430 -5.702 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.526 -7.653 -3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.054 -8.571 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.399 -8.982 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.153 -7.866 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.059 -5.903 -4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.203 -5.338 -5.324 1.00 0.00 H new ATOM 247 N GLU A 23 -0.899 -5.968 -5.442 1.00 0.00 N ATOM 248 CA GLU A 23 -1.369 -5.387 -6.730 1.00 0.00 C ATOM 249 C GLU A 23 -1.480 -3.871 -6.539 1.00 0.00 C ATOM 250 O GLU A 23 -1.104 -3.093 -7.391 1.00 0.00 O ATOM 251 CB GLU A 23 -2.736 -5.971 -7.090 1.00 0.00 C ATOM 252 CG GLU A 23 -3.217 -5.374 -8.414 1.00 0.00 C ATOM 253 CD GLU A 23 -4.665 -4.899 -8.262 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.998 -4.405 -7.197 1.00 0.00 O ATOM 255 OE2 GLU A 23 -5.415 -5.041 -9.213 1.00 0.00 O ATOM 0 H GLU A 23 -1.615 -6.431 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.673 -5.620 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.669 -7.056 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.455 -5.755 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.578 -4.540 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.148 -6.118 -9.207 1.00 0.00 H new ATOM 262 N ILE A 24 -1.962 -3.468 -5.396 1.00 0.00 N ATOM 263 CA ILE A 24 -2.087 -2.014 -5.059 1.00 0.00 C ATOM 264 C ILE A 24 -0.706 -1.389 -5.084 1.00 0.00 C ATOM 265 O ILE A 24 -0.473 -0.387 -5.728 1.00 0.00 O ATOM 266 CB ILE A 24 -2.662 -1.908 -3.647 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.143 -2.287 -3.670 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.518 -0.484 -3.130 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.452 -3.185 -2.474 1.00 0.00 C ATOM 0 H ILE A 24 -2.283 -4.098 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.733 -1.503 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.117 -2.586 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.761 -1.390 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.384 -2.803 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.931 -0.419 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.463 -0.210 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.057 0.198 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.507 -3.458 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.843 -4.088 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.226 -2.652 -1.551 1.00 0.00 H new ATOM 281 N VAL A 25 0.209 -1.984 -4.390 1.00 0.00 N ATOM 282 CA VAL A 25 1.587 -1.456 -4.355 1.00 0.00 C ATOM 283 C VAL A 25 2.180 -1.546 -5.746 1.00 0.00 C ATOM 284 O VAL A 25 2.830 -0.645 -6.225 1.00 0.00 O ATOM 285 CB VAL A 25 2.378 -2.334 -3.424 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.391 -3.716 -3.998 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.803 -1.859 -3.321 1.00 0.00 C ATOM 0 H VAL A 25 0.058 -2.827 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 25 1.604 -0.419 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 25 1.923 -2.308 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.959 -4.377 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.368 -4.083 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.855 -3.696 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.355 -2.509 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.267 -1.885 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.820 -0.838 -2.939 1.00 0.00 H new ATOM 297 N ASP A 26 1.933 -2.638 -6.395 1.00 0.00 N ATOM 298 CA ASP A 26 2.447 -2.822 -7.774 1.00 0.00 C ATOM 299 C ASP A 26 1.694 -1.854 -8.671 1.00 0.00 C ATOM 300 O ASP A 26 2.081 -1.583 -9.790 1.00 0.00 O ATOM 301 CB ASP A 26 2.197 -4.257 -8.243 1.00 0.00 C ATOM 302 CG ASP A 26 3.013 -4.526 -9.508 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.947 -3.781 -9.754 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.691 -5.471 -10.209 1.00 0.00 O ATOM 0 H ASP A 26 1.392 -3.421 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 26 3.520 -2.634 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.477 -4.961 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.136 -4.407 -8.442 1.00 0.00 H new ATOM 309 N LYS A 27 0.614 -1.326 -8.168 1.00 0.00 N ATOM 310 CA LYS A 27 -0.182 -0.358 -8.976 1.00 0.00 C ATOM 311 C LYS A 27 0.274 1.061 -8.651 1.00 0.00 C ATOM 312 O LYS A 27 -0.033 2.001 -9.357 1.00 0.00 O ATOM 313 CB LYS A 27 -1.672 -0.499 -8.647 1.00 0.00 C ATOM 314 CG LYS A 27 -2.426 -0.946 -9.901 1.00 0.00 C ATOM 315 CD LYS A 27 -2.780 0.280 -10.746 1.00 0.00 C ATOM 316 CE LYS A 27 -3.205 -0.167 -12.147 1.00 0.00 C ATOM 317 NZ LYS A 27 -1.995 -0.382 -12.991 1.00 0.00 N ATOM 0 H LYS A 27 0.248 -1.521 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.029 -0.565 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.812 -1.225 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.069 0.451 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.813 -1.636 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.333 -1.483 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.586 0.840 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.922 0.949 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.786 -1.087 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.848 0.587 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.285 -0.686 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.457 0.506 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.397 -1.116 -12.560 1.00 0.00 H new ATOM 331 N VAL A 28 0.995 1.227 -7.578 1.00 0.00 N ATOM 332 CA VAL A 28 1.456 2.591 -7.201 1.00 0.00 C ATOM 333 C VAL A 28 2.993 2.650 -7.161 1.00 0.00 C ATOM 334 O VAL A 28 3.571 3.683 -6.889 1.00 0.00 O ATOM 335 CB VAL A 28 0.885 2.937 -5.829 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.644 3.038 -5.917 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.261 1.837 -4.843 1.00 0.00 C ATOM 0 H VAL A 28 1.284 0.479 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 28 1.108 3.310 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 28 1.291 3.892 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.049 3.285 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.917 3.817 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.053 2.084 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.857 2.076 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.849 0.887 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.346 1.760 -4.780 1.00 0.00 H new ATOM 347 N LYS A 29 3.663 1.559 -7.443 1.00 0.00 N ATOM 348 CA LYS A 29 5.153 1.574 -7.432 1.00 0.00 C ATOM 349 C LYS A 29 5.682 2.742 -8.278 1.00 0.00 C ATOM 350 O LYS A 29 6.582 3.436 -7.849 1.00 0.00 O ATOM 351 CB LYS A 29 5.692 0.252 -7.984 1.00 0.00 C ATOM 352 CG LYS A 29 7.216 0.225 -7.837 1.00 0.00 C ATOM 353 CD LYS A 29 7.755 -1.124 -8.320 1.00 0.00 C ATOM 354 CE LYS A 29 7.671 -1.189 -9.847 1.00 0.00 C ATOM 355 NZ LYS A 29 9.046 -1.227 -10.420 1.00 0.00 N ATOM 0 H LYS A 29 3.240 0.661 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 29 5.492 1.701 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.249 -0.587 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.414 0.142 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.662 1.034 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.494 0.387 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.788 -1.252 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.179 -1.937 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.113 -2.074 -10.154 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.130 -0.323 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.989 -1.271 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.563 -0.370 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.547 -2.066 -10.065 1.00 0.00 H new ATOM 369 N PRO A 30 5.120 2.946 -9.453 1.00 0.00 N ATOM 370 CA PRO A 30 5.554 4.047 -10.329 1.00 0.00 C ATOM 371 C PRO A 30 5.042 5.369 -9.763 1.00 0.00 C ATOM 372 O PRO A 30 5.703 6.386 -9.832 1.00 0.00 O ATOM 373 CB PRO A 30 4.921 3.715 -11.683 1.00 0.00 C ATOM 374 CG PRO A 30 3.733 2.772 -11.387 1.00 0.00 C ATOM 375 CD PRO A 30 4.013 2.131 -10.014 1.00 0.00 C ATOM 0 HA PRO A 30 6.636 4.149 -10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.582 4.621 -12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.644 3.235 -12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.794 3.325 -11.372 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.642 2.009 -12.160 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.132 2.161 -9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.300 1.084 -10.114 1.00 0.00 H new ATOM 383 N GLN A 31 3.883 5.351 -9.164 1.00 0.00 N ATOM 384 CA GLN A 31 3.347 6.593 -8.549 1.00 0.00 C ATOM 385 C GLN A 31 4.125 6.854 -7.256 1.00 0.00 C ATOM 386 O GLN A 31 3.950 7.863 -6.601 1.00 0.00 O ATOM 387 CB GLN A 31 1.862 6.408 -8.223 1.00 0.00 C ATOM 388 CG GLN A 31 1.019 6.827 -9.429 1.00 0.00 C ATOM 389 CD GLN A 31 -0.077 5.787 -9.676 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.392 5.475 -10.807 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.676 5.236 -8.656 1.00 0.00 N ATOM 0 H GLN A 31 3.286 4.529 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 31 3.455 7.432 -9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.661 5.367 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.593 7.006 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.573 7.805 -9.251 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.651 6.921 -10.312 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.411 5.498 -7.706 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.409 4.543 -8.808 1.00 0.00 H new ATOM 400 N LEU A 32 4.984 5.937 -6.885 1.00 0.00 N ATOM 401 CA LEU A 32 5.782 6.100 -5.642 1.00 0.00 C ATOM 402 C LEU A 32 7.191 6.581 -5.999 1.00 0.00 C ATOM 403 O LEU A 32 7.801 7.347 -5.280 1.00 0.00 O ATOM 404 CB LEU A 32 5.877 4.751 -4.937 1.00 0.00 C ATOM 405 CG LEU A 32 4.720 4.623 -3.958 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.053 3.264 -4.132 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.244 4.758 -2.531 1.00 0.00 C ATOM 0 H LEU A 32 5.164 5.075 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 32 5.303 6.830 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.845 3.942 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.827 4.667 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 32 3.991 5.410 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.224 3.173 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.678 3.171 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.780 2.475 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.415 4.666 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.974 3.972 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.718 5.732 -2.408 1.00 0.00 H new ATOM 419 N GLU A 33 7.715 6.117 -7.099 1.00 0.00 N ATOM 420 CA GLU A 33 9.091 6.521 -7.504 1.00 0.00 C ATOM 421 C GLU A 33 9.113 7.972 -7.988 1.00 0.00 C ATOM 422 O GLU A 33 10.115 8.649 -7.880 1.00 0.00 O ATOM 423 CB GLU A 33 9.577 5.611 -8.635 1.00 0.00 C ATOM 424 CG GLU A 33 10.951 6.086 -9.111 1.00 0.00 C ATOM 425 CD GLU A 33 10.828 6.703 -10.507 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.907 7.477 -10.713 1.00 0.00 O ATOM 427 OE2 GLU A 33 11.657 6.392 -11.345 1.00 0.00 O ATOM 0 H GLU A 33 7.248 5.473 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 33 9.745 6.429 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.636 4.580 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.867 5.628 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.355 6.819 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.649 5.249 -9.133 1.00 0.00 H new ATOM 434 N GLU A 34 8.034 8.456 -8.538 1.00 0.00 N ATOM 435 CA GLU A 34 8.032 9.859 -9.041 1.00 0.00 C ATOM 436 C GLU A 34 7.366 10.791 -8.025 1.00 0.00 C ATOM 437 O GLU A 34 7.533 11.994 -8.079 1.00 0.00 O ATOM 438 CB GLU A 34 7.269 9.921 -10.363 1.00 0.00 C ATOM 439 CG GLU A 34 8.262 10.053 -11.518 1.00 0.00 C ATOM 440 CD GLU A 34 7.902 11.278 -12.358 1.00 0.00 C ATOM 441 OE1 GLU A 34 6.839 11.269 -12.956 1.00 0.00 O ATOM 442 OE2 GLU A 34 8.694 12.206 -12.391 1.00 0.00 O ATOM 0 H GLU A 34 7.159 7.946 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 34 9.062 10.182 -9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.665 9.022 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.583 10.768 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.276 10.149 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.240 9.155 -12.136 1.00 0.00 H new ATOM 449 N LYS A 35 6.613 10.259 -7.105 1.00 0.00 N ATOM 450 CA LYS A 35 5.944 11.136 -6.102 1.00 0.00 C ATOM 451 C LYS A 35 6.952 11.558 -5.029 1.00 0.00 C ATOM 452 O LYS A 35 7.233 12.728 -4.856 1.00 0.00 O ATOM 453 CB LYS A 35 4.787 10.376 -5.447 1.00 0.00 C ATOM 454 CG LYS A 35 3.925 11.352 -4.644 1.00 0.00 C ATOM 455 CD LYS A 35 2.489 10.828 -4.570 1.00 0.00 C ATOM 456 CE LYS A 35 1.873 10.827 -5.971 1.00 0.00 C ATOM 457 NZ LYS A 35 0.416 10.529 -5.873 1.00 0.00 N ATOM 0 H LYS A 35 6.431 9.261 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 35 5.558 12.024 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.183 9.884 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.175 9.594 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.332 11.471 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.940 12.336 -5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.479 9.820 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.897 11.453 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.026 11.795 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.366 10.083 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.003 10.528 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.281 9.596 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.048 11.255 -5.291 1.00 0.00 H new ATOM 471 N THR A 36 7.496 10.617 -4.305 1.00 0.00 N ATOM 472 CA THR A 36 8.480 10.970 -3.242 1.00 0.00 C ATOM 473 C THR A 36 9.807 11.392 -3.881 1.00 0.00 C ATOM 474 O THR A 36 10.624 12.039 -3.258 1.00 0.00 O ATOM 475 CB THR A 36 8.712 9.756 -2.341 1.00 0.00 C ATOM 476 OG1 THR A 36 9.906 9.947 -1.593 1.00 0.00 O ATOM 477 CG2 THR A 36 8.840 8.496 -3.198 1.00 0.00 C ATOM 0 H THR A 36 7.302 9.621 -4.404 1.00 0.00 H new ATOM 0 HA THR A 36 8.088 11.797 -2.650 1.00 0.00 H new ATOM 0 HB THR A 36 7.869 9.642 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.057 9.171 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.005 7.633 -2.553 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.924 8.351 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.682 8.605 -3.882 1.00 0.00 H new ATOM 485 N ASN A 37 10.021 11.025 -5.119 1.00 0.00 N ATOM 486 CA ASN A 37 11.288 11.390 -5.826 1.00 0.00 C ATOM 487 C ASN A 37 12.369 10.346 -5.513 1.00 0.00 C ATOM 488 O ASN A 37 13.534 10.536 -5.803 1.00 0.00 O ATOM 489 CB ASN A 37 11.741 12.808 -5.411 1.00 0.00 C ATOM 490 CG ASN A 37 12.862 12.759 -4.360 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.906 11.869 -3.533 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.778 13.688 -4.362 1.00 0.00 N ATOM 0 H ASN A 37 9.364 10.481 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 37 11.117 11.397 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.089 13.351 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.890 13.360 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.528 13.666 -3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.744 14.436 -5.054 1.00 0.00 H new ATOM 499 N GLU A 38 11.984 9.248 -4.930 1.00 0.00 N ATOM 500 CA GLU A 38 12.970 8.185 -4.599 1.00 0.00 C ATOM 501 C GLU A 38 12.737 6.989 -5.530 1.00 0.00 C ATOM 502 O GLU A 38 11.616 6.621 -5.807 1.00 0.00 O ATOM 503 CB GLU A 38 12.780 7.768 -3.134 1.00 0.00 C ATOM 504 CG GLU A 38 13.302 6.346 -2.922 1.00 0.00 C ATOM 505 CD GLU A 38 13.674 6.148 -1.453 1.00 0.00 C ATOM 506 OE1 GLU A 38 13.618 7.117 -0.712 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.007 5.031 -1.092 1.00 0.00 O ATOM 0 H GLU A 38 11.021 9.040 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 38 13.988 8.550 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.310 8.460 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.725 7.820 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.542 5.622 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.172 6.169 -3.555 1.00 0.00 H new ATOM 514 N THR A 39 13.785 6.385 -6.017 1.00 0.00 N ATOM 515 CA THR A 39 13.612 5.222 -6.935 1.00 0.00 C ATOM 516 C THR A 39 13.226 3.974 -6.137 1.00 0.00 C ATOM 517 O THR A 39 13.907 3.577 -5.211 1.00 0.00 O ATOM 518 CB THR A 39 14.921 4.959 -7.682 1.00 0.00 C ATOM 519 OG1 THR A 39 15.753 6.106 -7.601 1.00 0.00 O ATOM 520 CG2 THR A 39 14.619 4.648 -9.148 1.00 0.00 C ATOM 0 H THR A 39 14.752 6.645 -5.820 1.00 0.00 H new ATOM 0 HA THR A 39 12.820 5.450 -7.649 1.00 0.00 H new ATOM 0 HB THR A 39 15.432 4.109 -7.229 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.592 5.936 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.552 4.461 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.983 3.765 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.107 5.496 -9.602 1.00 0.00 H new ATOM 528 N TYR A 40 12.142 3.347 -6.503 1.00 0.00 N ATOM 529 CA TYR A 40 11.705 2.114 -5.787 1.00 0.00 C ATOM 530 C TYR A 40 11.832 0.919 -6.733 1.00 0.00 C ATOM 531 O TYR A 40 12.231 1.060 -7.872 1.00 0.00 O ATOM 532 CB TYR A 40 10.245 2.259 -5.354 1.00 0.00 C ATOM 533 CG TYR A 40 10.129 3.337 -4.304 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.938 3.299 -3.162 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.208 4.376 -4.474 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.825 4.302 -2.192 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.095 5.378 -3.504 1.00 0.00 C ATOM 538 CZ TYR A 40 9.903 5.341 -2.363 1.00 0.00 C ATOM 539 OH TYR A 40 9.791 6.329 -1.406 1.00 0.00 O ATOM 0 H TYR A 40 11.537 3.637 -7.271 1.00 0.00 H new ATOM 0 HA TYR A 40 12.329 1.963 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.624 2.508 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.877 1.312 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.649 2.497 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.584 4.405 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.450 4.274 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.384 6.180 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 40 8.878 6.338 -1.050 1.00 0.00 H new ATOM 549 N GLY A 43 11.496 -0.254 -6.274 1.00 0.00 N ATOM 550 CA GLY A 43 11.600 -1.452 -7.156 1.00 0.00 C ATOM 551 C GLY A 43 10.458 -2.423 -6.846 1.00 0.00 C ATOM 552 O GLY A 43 9.488 -2.069 -6.206 1.00 0.00 O ATOM 0 H GLY A 43 11.155 -0.436 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.559 -1.150 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.560 -1.945 -7.004 1.00 0.00 H new ATOM 556 N LYS A 44 10.567 -3.647 -7.294 1.00 0.00 N ATOM 557 CA LYS A 44 9.493 -4.644 -7.024 1.00 0.00 C ATOM 558 C LYS A 44 9.048 -4.507 -5.573 1.00 0.00 C ATOM 559 O LYS A 44 9.848 -4.607 -4.664 1.00 0.00 O ATOM 560 CB LYS A 44 10.040 -6.055 -7.244 1.00 0.00 C ATOM 561 CG LYS A 44 9.582 -6.579 -8.607 1.00 0.00 C ATOM 562 CD LYS A 44 10.794 -6.740 -9.527 1.00 0.00 C ATOM 563 CE LYS A 44 10.474 -7.765 -10.621 1.00 0.00 C ATOM 564 NZ LYS A 44 11.107 -9.072 -10.282 1.00 0.00 N ATOM 0 H LYS A 44 11.356 -3.998 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 44 8.652 -4.469 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.129 -6.045 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.691 -6.718 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.073 -7.536 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.864 -5.889 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.052 -5.781 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.660 -7.066 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.395 -7.886 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.841 -7.411 -11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.889 -9.766 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.138 -8.951 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.736 -9.411 -9.372 1.00 0.00 H new ATOM 578 N LEU A 45 7.788 -4.284 -5.332 1.00 0.00 N ATOM 579 CA LEU A 45 7.342 -4.151 -3.934 1.00 0.00 C ATOM 580 C LEU A 45 6.668 -5.453 -3.519 1.00 0.00 C ATOM 581 O LEU A 45 5.488 -5.646 -3.711 1.00 0.00 O ATOM 582 CB LEU A 45 6.393 -2.962 -3.842 1.00 0.00 C ATOM 583 CG LEU A 45 7.088 -1.772 -4.504 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.157 -0.550 -4.525 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.371 -1.460 -3.717 1.00 0.00 C ATOM 0 H LEU A 45 7.059 -4.190 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 45 8.178 -3.970 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.450 -3.183 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.157 -2.739 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 45 7.338 -2.016 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.667 0.288 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.254 -0.790 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.888 -0.280 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.882 -0.613 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.115 -1.216 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.027 -2.330 -3.731 1.00 0.00 H new ATOM 597 N GLU A 46 7.431 -6.360 -2.966 1.00 0.00 N ATOM 598 CA GLU A 46 6.861 -7.667 -2.554 1.00 0.00 C ATOM 599 C GLU A 46 5.984 -7.464 -1.324 1.00 0.00 C ATOM 600 O GLU A 46 6.410 -7.670 -0.206 1.00 0.00 O ATOM 601 CB GLU A 46 8.009 -8.630 -2.235 1.00 0.00 C ATOM 602 CG GLU A 46 7.480 -9.826 -1.447 1.00 0.00 C ATOM 603 CD GLU A 46 7.722 -11.113 -2.239 1.00 0.00 C ATOM 604 OE1 GLU A 46 8.844 -11.591 -2.227 1.00 0.00 O ATOM 605 OE2 GLU A 46 6.779 -11.602 -2.840 1.00 0.00 O ATOM 0 H GLU A 46 8.428 -6.246 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 46 6.254 -8.086 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.477 -8.970 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.778 -8.115 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.977 -9.884 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.415 -9.703 -1.252 1.00 0.00 H new ATOM 612 N ALA A 47 4.762 -7.061 -1.525 1.00 0.00 N ATOM 613 CA ALA A 47 3.848 -6.837 -0.375 1.00 0.00 C ATOM 614 C ALA A 47 4.042 -7.931 0.665 1.00 0.00 C ATOM 615 O ALA A 47 4.135 -9.102 0.360 1.00 0.00 O ATOM 616 CB ALA A 47 2.410 -6.831 -0.863 1.00 0.00 C ATOM 0 H ALA A 47 4.356 -6.876 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 47 4.075 -5.874 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.740 -6.667 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.277 -6.032 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.180 -7.790 -1.328 1.00 0.00 H new ATOM 622 N VAL A 48 4.121 -7.533 1.895 1.00 0.00 N ATOM 623 CA VAL A 48 4.329 -8.501 2.996 1.00 0.00 C ATOM 624 C VAL A 48 3.134 -8.430 3.929 1.00 0.00 C ATOM 625 O VAL A 48 2.624 -9.431 4.391 1.00 0.00 O ATOM 626 CB VAL A 48 5.611 -8.091 3.733 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.521 -8.425 5.228 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.801 -8.822 3.117 1.00 0.00 C ATOM 0 H VAL A 48 4.049 -6.559 2.190 1.00 0.00 H new ATOM 0 HA VAL A 48 4.426 -9.521 2.625 1.00 0.00 H new ATOM 0 HB VAL A 48 5.739 -7.013 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.443 -8.123 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.680 -7.891 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.376 -9.498 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.714 -8.534 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.655 -9.898 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.885 -8.557 2.063 1.00 0.00 H new ATOM 638 N GLN A 49 2.686 -7.249 4.202 1.00 0.00 N ATOM 639 CA GLN A 49 1.519 -7.097 5.104 1.00 0.00 C ATOM 640 C GLN A 49 0.660 -5.954 4.592 1.00 0.00 C ATOM 641 O GLN A 49 1.041 -5.243 3.686 1.00 0.00 O ATOM 642 CB GLN A 49 2.003 -6.786 6.523 1.00 0.00 C ATOM 643 CG GLN A 49 2.855 -7.949 7.042 1.00 0.00 C ATOM 644 CD GLN A 49 2.368 -8.363 8.429 1.00 0.00 C ATOM 645 OE1 GLN A 49 2.385 -7.574 9.353 1.00 0.00 O ATOM 646 NE2 GLN A 49 1.935 -9.580 8.620 1.00 0.00 N ATOM 0 H GLN A 49 3.075 -6.378 3.841 1.00 0.00 H new ATOM 0 HA GLN A 49 0.938 -8.019 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.586 -5.865 6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.150 -6.625 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.791 -8.794 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.903 -7.653 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.920 -10.243 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.612 -9.867 9.544 1.00 0.00 H new ATOM 655 N TYR A 50 -0.495 -5.764 5.147 1.00 0.00 N ATOM 656 CA TYR A 50 -1.340 -4.665 4.668 1.00 0.00 C ATOM 657 C TYR A 50 -2.533 -4.471 5.583 1.00 0.00 C ATOM 658 O TYR A 50 -3.186 -5.409 5.996 1.00 0.00 O ATOM 659 CB TYR A 50 -1.812 -4.966 3.269 1.00 0.00 C ATOM 660 CG TYR A 50 -2.960 -5.946 3.292 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.707 -7.320 3.348 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.279 -5.478 3.255 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.774 -8.228 3.369 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.346 -6.384 3.276 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.093 -7.759 3.332 1.00 0.00 C ATOM 666 OH TYR A 50 -6.145 -8.654 3.352 1.00 0.00 O ATOM 0 H TYR A 50 -0.884 -6.322 5.907 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.754 -3.746 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.124 -4.044 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.989 -5.376 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.690 -7.681 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.474 -4.417 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.579 -9.289 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.363 -6.022 3.249 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.993 -8.163 3.322 1.00 0.00 H new ATOM 676 N LYS A 51 -2.824 -3.256 5.879 1.00 0.00 N ATOM 677 CA LYS A 51 -3.994 -2.966 6.757 1.00 0.00 C ATOM 678 C LYS A 51 -5.110 -2.329 5.922 1.00 0.00 C ATOM 679 O LYS A 51 -4.871 -1.769 4.872 1.00 0.00 O ATOM 680 CB LYS A 51 -3.577 -2.019 7.885 1.00 0.00 C ATOM 681 CG LYS A 51 -3.289 -2.829 9.150 1.00 0.00 C ATOM 682 CD LYS A 51 -1.884 -2.498 9.656 1.00 0.00 C ATOM 683 CE LYS A 51 -1.480 -3.505 10.734 1.00 0.00 C ATOM 684 NZ LYS A 51 -0.403 -2.919 11.581 1.00 0.00 N ATOM 0 H LYS A 51 -2.308 -2.437 5.556 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.358 -3.895 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.692 -1.455 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.368 -1.294 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.028 -2.600 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.370 -3.895 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.172 -2.527 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.861 -1.486 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.343 -3.761 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.132 -4.429 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.127 -3.603 12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.422 -2.696 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.751 -2.049 12.032 1.00 0.00 H new ATOM 698 N THR A 52 -6.329 -2.420 6.382 1.00 0.00 N ATOM 699 CA THR A 52 -7.474 -1.832 5.623 1.00 0.00 C ATOM 700 C THR A 52 -8.432 -1.156 6.604 1.00 0.00 C ATOM 701 O THR A 52 -8.703 -1.664 7.674 1.00 0.00 O ATOM 702 CB THR A 52 -8.226 -2.942 4.889 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.018 -4.178 5.557 1.00 0.00 O ATOM 704 CG2 THR A 52 -7.717 -3.042 3.451 1.00 0.00 C ATOM 0 H THR A 52 -6.584 -2.879 7.256 1.00 0.00 H new ATOM 0 HA THR A 52 -7.096 -1.105 4.904 1.00 0.00 H new ATOM 0 HB THR A 52 -9.291 -2.712 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.502 -4.889 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.254 -3.834 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.882 -2.094 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.651 -3.270 3.457 1.00 0.00 H new ATOM 712 N GLN A 53 -8.961 -0.024 6.242 1.00 0.00 N ATOM 713 CA GLN A 53 -9.917 0.675 7.145 1.00 0.00 C ATOM 714 C GLN A 53 -11.068 1.223 6.304 1.00 0.00 C ATOM 715 O GLN A 53 -11.055 1.126 5.093 1.00 0.00 O ATOM 716 CB GLN A 53 -9.209 1.811 7.888 1.00 0.00 C ATOM 717 CG GLN A 53 -8.529 2.749 6.892 1.00 0.00 C ATOM 718 CD GLN A 53 -8.892 4.192 7.235 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.698 4.434 8.111 1.00 0.00 O ATOM 720 NE2 GLN A 53 -8.330 5.166 6.579 1.00 0.00 N ATOM 0 H GLN A 53 -8.773 0.450 5.358 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.305 -0.023 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.929 2.367 8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.469 1.400 8.575 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.448 2.615 6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.846 2.513 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.653 4.962 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.566 6.133 6.800 1.00 0.00 H new ATOM 729 N VAL A 54 -12.077 1.776 6.917 1.00 0.00 N ATOM 730 CA VAL A 54 -13.218 2.287 6.112 1.00 0.00 C ATOM 731 C VAL A 54 -13.312 3.820 6.203 1.00 0.00 C ATOM 732 O VAL A 54 -12.816 4.439 7.124 1.00 0.00 O ATOM 733 CB VAL A 54 -14.516 1.623 6.599 1.00 0.00 C ATOM 734 CG1 VAL A 54 -15.299 2.570 7.503 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.375 1.249 5.389 1.00 0.00 C ATOM 0 H VAL A 54 -12.160 1.895 7.927 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.060 2.035 5.063 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.261 0.729 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -16.214 2.081 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.691 2.832 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.552 3.475 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.297 0.778 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.615 2.148 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.826 0.555 4.753 1.00 0.00 H new ATOM 745 N VAL A 55 -13.960 4.417 5.241 1.00 0.00 N ATOM 746 CA VAL A 55 -14.135 5.899 5.214 1.00 0.00 C ATOM 747 C VAL A 55 -15.129 6.215 4.092 1.00 0.00 C ATOM 748 O VAL A 55 -16.319 6.004 4.227 1.00 0.00 O ATOM 749 CB VAL A 55 -12.789 6.573 4.922 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.022 6.790 6.226 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.966 5.678 3.992 1.00 0.00 C ATOM 0 H VAL A 55 -14.386 3.929 4.453 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.502 6.267 6.172 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.966 7.537 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.067 7.269 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.606 7.427 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.845 5.829 6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.008 6.154 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.795 4.714 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.508 5.527 3.059 1.00 0.00 H new ATOM 761 N ALA A 56 -14.644 6.657 2.964 1.00 0.00 N ATOM 762 CA ALA A 56 -15.541 6.915 1.809 1.00 0.00 C ATOM 763 C ALA A 56 -15.393 5.712 0.879 1.00 0.00 C ATOM 764 O ALA A 56 -15.544 5.792 -0.324 1.00 0.00 O ATOM 765 CB ALA A 56 -15.094 8.189 1.097 1.00 0.00 C ATOM 0 H ALA A 56 -13.657 6.851 2.795 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.578 7.047 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.751 8.381 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.142 9.029 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.070 8.068 0.743 1.00 0.00 H new ATOM 771 N GLY A 57 -15.054 4.599 1.470 1.00 0.00 N ATOM 772 CA GLY A 57 -14.825 3.337 0.722 1.00 0.00 C ATOM 773 C GLY A 57 -13.860 2.515 1.562 1.00 0.00 C ATOM 774 O GLY A 57 -14.132 2.206 2.704 1.00 0.00 O ATOM 0 H GLY A 57 -14.923 4.514 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.761 2.801 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.407 3.539 -0.264 1.00 0.00 H new ATOM 778 N THR A 58 -12.725 2.190 1.036 1.00 0.00 N ATOM 779 CA THR A 58 -11.746 1.422 1.860 1.00 0.00 C ATOM 780 C THR A 58 -10.322 1.721 1.414 1.00 0.00 C ATOM 781 O THR A 58 -9.886 1.299 0.361 1.00 0.00 O ATOM 782 CB THR A 58 -11.994 -0.080 1.745 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.373 -0.354 1.960 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.146 -0.803 2.801 1.00 0.00 C ATOM 0 H THR A 58 -12.427 2.414 0.087 1.00 0.00 H new ATOM 0 HA THR A 58 -11.878 1.729 2.897 1.00 0.00 H new ATOM 0 HB THR A 58 -11.717 -0.428 0.750 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.531 -1.318 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.314 -1.878 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.091 -0.589 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.430 -0.457 3.795 1.00 0.00 H new ATOM 792 N ASN A 59 -9.582 2.426 2.219 1.00 0.00 N ATOM 793 CA ASN A 59 -8.192 2.729 1.871 1.00 0.00 C ATOM 794 C ASN A 59 -7.369 1.459 2.026 1.00 0.00 C ATOM 795 O ASN A 59 -7.896 0.392 2.261 1.00 0.00 O ATOM 796 CB ASN A 59 -7.687 3.783 2.839 1.00 0.00 C ATOM 797 CG ASN A 59 -8.303 5.141 2.496 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.053 5.684 1.439 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.108 5.711 3.351 1.00 0.00 N ATOM 0 H ASN A 59 -9.896 2.805 3.112 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.113 3.093 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.945 3.504 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.600 3.844 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.528 6.614 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.317 5.253 4.238 1.00 0.00 H new ATOM 806 N TYR A 60 -6.084 1.577 1.932 1.00 0.00 N ATOM 807 CA TYR A 60 -5.209 0.385 2.100 1.00 0.00 C ATOM 808 C TYR A 60 -3.930 0.806 2.801 1.00 0.00 C ATOM 809 O TYR A 60 -3.522 1.948 2.760 1.00 0.00 O ATOM 810 CB TYR A 60 -4.789 -0.220 0.751 1.00 0.00 C ATOM 811 CG TYR A 60 -5.976 -0.599 -0.097 1.00 0.00 C ATOM 812 CD1 TYR A 60 -7.098 -1.205 0.472 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.934 -0.351 -1.469 1.00 0.00 C ATOM 814 CE1 TYR A 60 -8.182 -1.558 -0.339 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.012 -0.704 -2.282 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.140 -1.308 -1.716 1.00 0.00 C ATOM 817 OH TYR A 60 -9.209 -1.664 -2.512 1.00 0.00 O ATOM 0 H TYR A 60 -5.593 2.451 1.745 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.777 -0.351 2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.172 0.497 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.173 -1.102 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.129 -1.400 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.063 0.116 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.053 -2.024 0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.976 -0.512 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.989 -1.851 -1.948 1.00 0.00 H new ATOM 827 N TYR A 61 -3.282 -0.143 3.391 1.00 0.00 N ATOM 828 CA TYR A 61 -1.989 0.093 4.073 1.00 0.00 C ATOM 829 C TYR A 61 -1.148 -1.106 3.695 1.00 0.00 C ATOM 830 O TYR A 61 -1.666 -2.196 3.583 1.00 0.00 O ATOM 831 CB TYR A 61 -2.192 0.148 5.591 1.00 0.00 C ATOM 832 CG TYR A 61 -3.190 1.224 5.957 1.00 0.00 C ATOM 833 CD1 TYR A 61 -4.513 1.138 5.510 1.00 0.00 C ATOM 834 CD2 TYR A 61 -2.792 2.302 6.756 1.00 0.00 C ATOM 835 CE1 TYR A 61 -5.437 2.129 5.860 1.00 0.00 C ATOM 836 CE2 TYR A 61 -3.717 3.293 7.105 1.00 0.00 C ATOM 837 CZ TYR A 61 -5.039 3.206 6.658 1.00 0.00 C ATOM 838 OH TYR A 61 -5.950 4.180 7.008 1.00 0.00 O ATOM 0 H TYR A 61 -3.606 -1.109 3.431 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.526 1.037 3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.543 -0.819 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.240 0.345 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.821 0.306 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.772 2.369 7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.458 2.062 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.409 4.126 7.720 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.492 4.895 7.497 1.00 0.00 H new ATOM 848 N ILE A 62 0.110 -0.961 3.413 1.00 0.00 N ATOM 849 CA ILE A 62 0.835 -2.169 2.973 1.00 0.00 C ATOM 850 C ILE A 62 2.326 -2.075 3.256 1.00 0.00 C ATOM 851 O ILE A 62 3.011 -1.192 2.780 1.00 0.00 O ATOM 852 CB ILE A 62 0.622 -2.333 1.467 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.853 -2.066 1.107 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.005 -3.758 1.074 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.044 -2.054 -0.411 1.00 0.00 C ATOM 0 H ILE A 62 0.648 -0.096 3.465 1.00 0.00 H new ATOM 0 HA ILE A 62 0.448 -3.024 3.526 1.00 0.00 H new ATOM 0 HB ILE A 62 1.243 -1.618 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.486 -2.833 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.168 -1.110 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.859 -3.892 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.051 -3.935 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.379 -4.466 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.092 -1.864 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.427 -1.270 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.750 -3.020 -0.822 1.00 0.00 H new ATOM 867 N LYS A 63 2.849 -3.023 3.980 1.00 0.00 N ATOM 868 CA LYS A 63 4.305 -3.028 4.233 1.00 0.00 C ATOM 869 C LYS A 63 4.908 -3.903 3.138 1.00 0.00 C ATOM 870 O LYS A 63 4.952 -5.113 3.255 1.00 0.00 O ATOM 871 CB LYS A 63 4.605 -3.621 5.613 1.00 0.00 C ATOM 872 CG LYS A 63 6.115 -3.828 5.761 1.00 0.00 C ATOM 873 CD LYS A 63 6.420 -4.469 7.117 1.00 0.00 C ATOM 874 CE LYS A 63 7.822 -5.083 7.081 1.00 0.00 C ATOM 875 NZ LYS A 63 7.763 -6.492 7.564 1.00 0.00 N ATOM 0 H LYS A 63 2.328 -3.791 4.404 1.00 0.00 H new ATOM 0 HA LYS A 63 4.720 -2.020 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.240 -2.955 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.083 -4.570 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.485 -4.464 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.632 -2.872 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.358 -3.722 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.680 -5.236 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.218 -5.052 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.501 -4.502 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.507 -7.050 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.908 -6.512 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.833 -6.898 7.337 1.00 0.00 H new ATOM 889 N VAL A 64 5.311 -3.309 2.049 1.00 0.00 N ATOM 890 CA VAL A 64 5.838 -4.094 0.920 1.00 0.00 C ATOM 891 C VAL A 64 7.362 -4.092 0.931 1.00 0.00 C ATOM 892 O VAL A 64 7.984 -3.095 1.221 1.00 0.00 O ATOM 893 CB VAL A 64 5.373 -3.416 -0.362 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.887 -3.680 -0.595 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.611 -1.908 -0.260 1.00 0.00 C ATOM 0 H VAL A 64 5.294 -2.300 1.900 1.00 0.00 H new ATOM 0 HA VAL A 64 5.484 -5.123 0.991 1.00 0.00 H new ATOM 0 HB VAL A 64 5.940 -3.823 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.570 -3.189 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.717 -4.753 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.312 -3.287 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.278 -1.424 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.051 -1.508 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.674 -1.716 -0.114 1.00 0.00 H new ATOM 905 N ARG A 65 7.977 -5.179 0.571 1.00 0.00 N ATOM 906 CA ARG A 65 9.458 -5.174 0.523 1.00 0.00 C ATOM 907 C ARG A 65 9.855 -4.246 -0.608 1.00 0.00 C ATOM 908 O ARG A 65 9.328 -4.323 -1.696 1.00 0.00 O ATOM 909 CB ARG A 65 10.000 -6.578 0.254 1.00 0.00 C ATOM 910 CG ARG A 65 9.121 -7.617 0.952 1.00 0.00 C ATOM 911 CD ARG A 65 10.009 -8.621 1.691 1.00 0.00 C ATOM 912 NE ARG A 65 10.678 -9.515 0.703 1.00 0.00 N ATOM 913 CZ ARG A 65 11.697 -10.247 1.065 1.00 0.00 C ATOM 914 NH1 ARG A 65 11.983 -10.384 2.331 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.426 -10.843 0.161 1.00 0.00 N ATOM 0 H ARG A 65 7.526 -6.057 0.312 1.00 0.00 H new ATOM 0 HA ARG A 65 9.869 -4.842 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.022 -6.769 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.026 -6.656 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.446 -7.126 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.500 -8.134 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.756 -8.094 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.410 -9.211 2.384 1.00 0.00 H new ATOM 0 HE ARG A 65 10.339 -9.555 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.411 -9.920 3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.779 -10.955 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.200 -10.737 -0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.222 -11.415 0.444 1.00 0.00 H new ATOM 929 N ALA A 66 10.760 -3.355 -0.349 1.00 0.00 N ATOM 930 CA ALA A 66 11.186 -2.387 -1.391 1.00 0.00 C ATOM 931 C ALA A 66 12.273 -3.013 -2.249 1.00 0.00 C ATOM 932 O ALA A 66 13.274 -2.403 -2.565 1.00 0.00 O ATOM 933 CB ALA A 66 11.727 -1.140 -0.712 1.00 0.00 C ATOM 0 H ALA A 66 11.230 -3.253 0.551 1.00 0.00 H new ATOM 0 HA ALA A 66 10.338 -2.124 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.043 -0.422 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.948 -0.696 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.579 -1.407 -0.087 1.00 0.00 H new ATOM 939 N GLY A 67 12.065 -4.228 -2.622 1.00 0.00 N ATOM 940 CA GLY A 67 13.065 -4.936 -3.468 1.00 0.00 C ATOM 941 C GLY A 67 13.978 -5.795 -2.589 1.00 0.00 C ATOM 942 O GLY A 67 13.555 -6.770 -2.002 1.00 0.00 O ATOM 0 H GLY A 67 11.239 -4.776 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.556 -5.563 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.659 -4.212 -4.026 1.00 0.00 H new ATOM 946 N ASP A 68 15.235 -5.444 -2.511 1.00 0.00 N ATOM 947 CA ASP A 68 16.192 -6.235 -1.694 1.00 0.00 C ATOM 948 C ASP A 68 15.629 -6.479 -0.284 1.00 0.00 C ATOM 949 O ASP A 68 14.763 -7.309 -0.091 1.00 0.00 O ATOM 950 CB ASP A 68 17.523 -5.484 -1.607 1.00 0.00 C ATOM 951 CG ASP A 68 17.257 -3.982 -1.491 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.191 -3.625 -1.018 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.124 -3.215 -1.878 1.00 0.00 O ATOM 0 H ASP A 68 15.639 -4.636 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 68 16.349 -7.203 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.092 -5.831 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.127 -5.690 -2.491 1.00 0.00 H new ATOM 958 N ASN A 92 16.121 -5.776 0.706 1.00 0.00 N ATOM 959 CA ASN A 92 15.616 -5.988 2.094 1.00 0.00 C ATOM 960 C ASN A 92 15.014 -4.691 2.629 1.00 0.00 C ATOM 961 O ASN A 92 14.492 -4.647 3.725 1.00 0.00 O ATOM 962 CB ASN A 92 16.772 -6.425 2.995 1.00 0.00 C ATOM 963 CG ASN A 92 18.030 -5.636 2.628 1.00 0.00 C ATOM 964 OD1 ASN A 92 18.751 -6.008 1.724 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.323 -4.554 3.294 1.00 0.00 N ATOM 0 H ASN A 92 16.848 -5.067 0.612 1.00 0.00 H new ATOM 0 HA ASN A 92 14.849 -6.762 2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 92 16.516 -6.256 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.953 -7.494 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.158 -4.019 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.717 -4.242 4.053 1.00 0.00 H new ATOM 972 N LYS A 93 15.059 -3.638 1.863 1.00 0.00 N ATOM 973 CA LYS A 93 14.462 -2.364 2.340 1.00 0.00 C ATOM 974 C LYS A 93 12.952 -2.559 2.393 1.00 0.00 C ATOM 975 O LYS A 93 12.456 -3.634 2.121 1.00 0.00 O ATOM 976 CB LYS A 93 14.805 -1.233 1.365 1.00 0.00 C ATOM 977 CG LYS A 93 15.594 -0.145 2.098 1.00 0.00 C ATOM 978 CD LYS A 93 16.868 -0.745 2.700 1.00 0.00 C ATOM 979 CE LYS A 93 17.660 0.355 3.414 1.00 0.00 C ATOM 980 NZ LYS A 93 17.141 0.525 4.801 1.00 0.00 N ATOM 0 H LYS A 93 15.480 -3.605 0.935 1.00 0.00 H new ATOM 0 HA LYS A 93 14.851 -2.100 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.390 -1.622 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.892 -0.813 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.850 0.659 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.981 0.294 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.613 -1.539 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.476 -1.196 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.719 0.096 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.575 1.293 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.680 1.272 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.136 0.791 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.245 -0.369 5.322 1.00 0.00 H new ATOM 994 N TYR A 94 12.211 -1.554 2.747 1.00 0.00 N ATOM 995 CA TYR A 94 10.737 -1.733 2.811 1.00 0.00 C ATOM 996 C TYR A 94 10.045 -0.439 2.412 1.00 0.00 C ATOM 997 O TYR A 94 10.661 0.605 2.327 1.00 0.00 O ATOM 998 CB TYR A 94 10.336 -2.116 4.231 1.00 0.00 C ATOM 999 CG TYR A 94 10.325 -3.618 4.353 1.00 0.00 C ATOM 1000 CD1 TYR A 94 9.318 -4.362 3.731 1.00 0.00 C ATOM 1001 CD2 TYR A 94 11.324 -4.266 5.089 1.00 0.00 C ATOM 1002 CE1 TYR A 94 9.306 -5.755 3.846 1.00 0.00 C ATOM 1003 CE2 TYR A 94 11.312 -5.658 5.207 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.304 -6.405 4.586 1.00 0.00 C ATOM 1005 OH TYR A 94 10.292 -7.780 4.703 1.00 0.00 O ATOM 0 H TYR A 94 12.555 -0.626 2.993 1.00 0.00 H new ATOM 0 HA TYR A 94 10.436 -2.524 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.035 -1.686 4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.351 -1.713 4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.549 -3.860 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.104 -3.690 5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.529 -6.330 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.081 -6.158 5.778 1.00 0.00 H new ATOM 0 HH TYR A 94 11.054 -8.069 5.248 1.00 0.00 H new ATOM 1015 N MET A 95 8.771 -0.495 2.161 1.00 0.00 N ATOM 1016 CA MET A 95 8.054 0.739 1.762 1.00 0.00 C ATOM 1017 C MET A 95 6.595 0.640 2.190 1.00 0.00 C ATOM 1018 O MET A 95 5.830 -0.139 1.654 1.00 0.00 O ATOM 1019 CB MET A 95 8.136 0.905 0.244 1.00 0.00 C ATOM 1020 CG MET A 95 7.677 2.312 -0.138 1.00 0.00 C ATOM 1021 SD MET A 95 7.929 2.567 -1.912 1.00 0.00 S ATOM 1022 CE MET A 95 6.451 1.687 -2.475 1.00 0.00 C ATOM 0 H MET A 95 8.199 -1.338 2.215 1.00 0.00 H new ATOM 0 HA MET A 95 8.513 1.601 2.246 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.158 0.739 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.511 0.160 -0.249 1.00 0.00 H new ATOM 0 HG2 MET A 95 6.625 2.444 0.113 1.00 0.00 H new ATOM 0 HG3 MET A 95 8.236 3.055 0.430 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.383 1.748 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.513 0.641 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.566 2.141 -2.030 1.00 0.00 H new ATOM 1032 N HIS A 96 6.200 1.432 3.142 1.00 0.00 N ATOM 1033 CA HIS A 96 4.786 1.396 3.589 1.00 0.00 C ATOM 1034 C HIS A 96 3.931 1.971 2.472 1.00 0.00 C ATOM 1035 O HIS A 96 4.363 2.830 1.727 1.00 0.00 O ATOM 1036 CB HIS A 96 4.624 2.233 4.849 1.00 0.00 C ATOM 1037 CG HIS A 96 4.490 1.328 6.040 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.614 1.788 7.343 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.241 -0.016 6.138 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.438 0.740 8.163 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.222 -0.391 7.480 1.00 0.00 N ATOM 0 H HIS A 96 6.795 2.102 3.629 1.00 0.00 H new ATOM 0 HA HIS A 96 4.481 0.374 3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.484 2.891 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.744 2.871 4.763 1.00 0.00 H new ATOM 0 HD1 HIS A 96 4.805 2.749 7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.084 -0.683 5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.467 0.802 9.241 1.00 0.00 H new ATOM 1049 N LEU A 97 2.736 1.493 2.325 1.00 0.00 N ATOM 1050 CA LEU A 97 1.878 1.996 1.227 1.00 0.00 C ATOM 1051 C LEU A 97 0.519 2.423 1.759 1.00 0.00 C ATOM 1052 O LEU A 97 0.034 1.921 2.749 1.00 0.00 O ATOM 1053 CB LEU A 97 1.680 0.873 0.219 1.00 0.00 C ATOM 1054 CG LEU A 97 1.227 1.461 -1.107 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.402 2.186 -1.764 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.741 0.329 -2.008 1.00 0.00 C ATOM 0 H LEU A 97 2.315 0.776 2.916 1.00 0.00 H new ATOM 0 HA LEU A 97 2.359 2.857 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.610 0.320 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.938 0.165 0.588 1.00 0.00 H new ATOM 0 HG LEU A 97 0.415 2.171 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.082 2.610 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.748 2.986 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.215 1.480 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.413 0.739 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.554 -0.377 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.092 -0.185 -1.529 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.098 3.338 1.079 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.443 3.812 1.485 1.00 0.00 C ATOM 1070 C LYS A 98 -2.241 4.076 0.209 1.00 0.00 C ATOM 1071 O LYS A 98 -2.034 5.066 -0.453 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.309 5.108 2.289 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.414 5.172 3.345 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.983 6.590 3.403 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.398 6.547 3.982 1.00 0.00 C ATOM 1076 NZ LYS A 98 -5.177 5.472 3.306 1.00 0.00 N ATOM 0 H LYS A 98 0.279 3.786 0.244 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.945 3.069 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.331 5.151 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.377 5.969 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.204 4.461 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.017 4.888 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.346 7.224 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.000 7.028 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.358 6.362 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.889 7.510 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.191 5.701 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.877 5.398 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.008 4.566 3.787 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.128 3.196 -0.166 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.897 3.419 -1.425 1.00 0.00 C ATOM 1092 C VAL A 99 -5.375 3.662 -1.084 1.00 0.00 C ATOM 1093 O VAL A 99 -5.843 3.279 -0.037 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.779 2.162 -2.318 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.045 2.007 -3.156 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.594 2.281 -3.274 1.00 0.00 C ATOM 0 H VAL A 99 -3.353 2.339 0.339 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.498 4.286 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.637 1.300 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.959 1.120 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.907 1.903 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.174 2.887 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.533 1.384 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.729 3.153 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.673 2.390 -2.701 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.134 4.252 -1.975 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.581 4.439 -1.671 1.00 0.00 C ATOM 1108 C PHE A 100 -8.395 3.717 -2.740 1.00 0.00 C ATOM 1109 O PHE A 100 -8.073 3.767 -3.916 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.953 5.923 -1.649 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.397 6.082 -1.246 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.964 5.227 -0.294 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.171 7.090 -1.833 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.307 5.382 0.073 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.512 7.245 -1.467 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.081 6.392 -0.515 1.00 0.00 C ATOM 0 H PHE A 100 -5.821 4.604 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.796 4.028 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.310 6.458 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.790 6.363 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.367 4.449 0.157 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.733 7.748 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.746 4.724 0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.109 8.023 -1.919 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.117 6.512 -0.233 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.436 3.036 -2.340 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.269 2.300 -3.329 1.00 0.00 C ATOM 1128 C LYS A 101 -11.628 2.975 -3.444 1.00 0.00 C ATOM 1129 O LYS A 101 -12.235 3.371 -2.469 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.446 0.850 -2.873 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.613 0.176 -3.614 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.068 -0.742 -4.709 1.00 0.00 C ATOM 1133 CE LYS A 101 -11.992 -0.676 -5.928 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.295 -2.056 -6.399 1.00 0.00 N ATOM 0 H LYS A 101 -9.744 2.959 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.777 2.310 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.526 0.294 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.629 0.823 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.218 -0.398 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.264 0.933 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.059 -0.438 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.003 -1.766 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.916 -0.158 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.518 -0.104 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.923 -2.010 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.410 -2.535 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.764 -2.587 -5.638 1.00 0.00 H new ATOM 1148 N SER A 102 -12.106 3.084 -4.641 1.00 0.00 N ATOM 1149 CA SER A 102 -13.434 3.707 -4.868 1.00 0.00 C ATOM 1150 C SER A 102 -14.458 2.609 -5.146 1.00 0.00 C ATOM 1151 O SER A 102 -14.618 2.166 -6.266 1.00 0.00 O ATOM 1152 CB SER A 102 -13.361 4.664 -6.058 1.00 0.00 C ATOM 1153 OG SER A 102 -13.437 3.919 -7.266 1.00 0.00 O ATOM 0 H SER A 102 -11.630 2.765 -5.485 1.00 0.00 H new ATOM 0 HA SER A 102 -13.732 4.269 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.177 5.385 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.431 5.232 -6.026 1.00 0.00 H new ATOM 0 HG SER A 102 -14.341 3.556 -7.370 1.00 0.00 H new ATOM 1159 N LEU A 102A -15.130 2.159 -4.131 1.00 0.00 N ATOM 1160 CA LEU A 102A -16.139 1.070 -4.314 1.00 0.00 C ATOM 1161 C LEU A 102A -16.911 1.265 -5.632 1.00 0.00 C ATOM 1162 O LEU A 102A -16.988 0.355 -6.433 1.00 0.00 O ATOM 1163 CB LEU A 102A -17.139 1.029 -3.141 1.00 0.00 C ATOM 1164 CG LEU A 102A -16.528 1.628 -1.867 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -16.822 3.130 -1.810 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -17.152 0.949 -0.645 1.00 0.00 C ATOM 0 H LEU A 102A -15.028 2.496 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 102A -15.597 0.125 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -18.040 1.581 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -17.440 -0.002 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 102A -15.450 1.469 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -16.387 3.552 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -16.389 3.619 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -17.900 3.290 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -16.722 1.370 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -18.229 1.114 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -16.949 -0.121 -0.680 1.00 0.00 H new ATOM 1178 N PRO A 103 -17.463 2.439 -5.821 1.00 0.00 N ATOM 1179 CA PRO A 103 -18.239 2.763 -7.035 1.00 0.00 C ATOM 1180 C PRO A 103 -17.303 3.067 -8.212 1.00 0.00 C ATOM 1181 O PRO A 103 -16.100 2.915 -8.119 1.00 0.00 O ATOM 1182 CB PRO A 103 -19.021 4.018 -6.637 1.00 0.00 C ATOM 1183 CG PRO A 103 -18.239 4.663 -5.468 1.00 0.00 C ATOM 1184 CD PRO A 103 -17.373 3.550 -4.851 1.00 0.00 C ATOM 0 HA PRO A 103 -18.881 1.943 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.104 4.708 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -20.036 3.764 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.618 5.485 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.922 5.078 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.342 3.877 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.745 3.253 -3.870 1.00 0.00 H new ATOM 1192 N GLY A 104 -17.848 3.506 -9.317 1.00 0.00 N ATOM 1193 CA GLY A 104 -16.995 3.834 -10.496 1.00 0.00 C ATOM 1194 C GLY A 104 -16.774 2.586 -11.355 1.00 0.00 C ATOM 1195 O GLY A 104 -16.318 1.567 -10.880 1.00 0.00 O ATOM 0 H GLY A 104 -18.848 3.651 -9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -17.470 4.614 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.035 4.228 -10.161 1.00 0.00 H new ATOM 1199 N GLN A 105 -17.088 2.666 -12.621 1.00 0.00 N ATOM 1200 CA GLN A 105 -16.890 1.492 -13.518 1.00 0.00 C ATOM 1201 C GLN A 105 -15.439 1.016 -13.412 1.00 0.00 C ATOM 1202 O GLN A 105 -15.047 0.398 -12.443 1.00 0.00 O ATOM 1203 CB GLN A 105 -17.219 1.891 -14.962 1.00 0.00 C ATOM 1204 CG GLN A 105 -16.907 0.720 -15.898 1.00 0.00 C ATOM 1205 CD GLN A 105 -18.185 -0.074 -16.169 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -19.270 0.470 -16.141 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -18.100 -1.349 -16.434 1.00 0.00 N ATOM 0 H GLN A 105 -17.474 3.495 -13.072 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.552 0.679 -13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.271 2.166 -15.044 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.637 2.766 -15.250 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -16.492 1.091 -16.835 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.153 0.073 -15.449 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.188 -1.805 -16.457 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.945 -1.889 -16.618 1.00 0.00 H new ATOM 1216 N ASN A 105A -14.644 1.296 -14.397 1.00 0.00 N ATOM 1217 CA ASN A 105A -13.220 0.862 -14.354 1.00 0.00 C ATOM 1218 C ASN A 105A -12.621 1.220 -12.992 1.00 0.00 C ATOM 1219 O ASN A 105A -12.660 2.358 -12.568 1.00 0.00 O ATOM 1220 CB ASN A 105A -12.436 1.578 -15.455 1.00 0.00 C ATOM 1221 CG ASN A 105A -12.842 3.053 -15.495 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -13.645 3.451 -16.316 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -12.317 3.885 -14.639 1.00 0.00 N ATOM 0 H ASN A 105A -14.916 1.809 -15.236 1.00 0.00 H new ATOM 0 HA ASN A 105A -13.163 -0.216 -14.507 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -11.365 1.490 -15.270 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -12.633 1.110 -16.419 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -12.580 4.870 -14.658 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -11.643 3.550 -13.950 1.00 0.00 H new ATOM 1230 N GLU A 106 -12.067 0.260 -12.304 1.00 0.00 N ATOM 1231 CA GLU A 106 -11.465 0.556 -10.975 1.00 0.00 C ATOM 1232 C GLU A 106 -10.502 1.736 -11.113 1.00 0.00 C ATOM 1233 O GLU A 106 -9.951 1.979 -12.168 1.00 0.00 O ATOM 1234 CB GLU A 106 -10.706 -0.672 -10.468 1.00 0.00 C ATOM 1235 CG GLU A 106 -9.908 -1.294 -11.615 1.00 0.00 C ATOM 1236 CD GLU A 106 -8.931 -2.328 -11.054 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -9.357 -3.141 -10.249 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -7.774 -2.291 -11.439 1.00 0.00 O ATOM 0 H GLU A 106 -12.005 -0.713 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 106 -12.252 0.807 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.035 -0.388 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -11.406 -1.402 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.584 -1.766 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.364 -0.520 -12.156 1.00 0.00 H new ATOM 1245 N ASP A 107 -10.299 2.475 -10.058 1.00 0.00 N ATOM 1246 CA ASP A 107 -9.375 3.641 -10.135 1.00 0.00 C ATOM 1247 C ASP A 107 -8.740 3.885 -8.766 1.00 0.00 C ATOM 1248 O ASP A 107 -8.884 4.943 -8.185 1.00 0.00 O ATOM 1249 CB ASP A 107 -10.158 4.883 -10.562 1.00 0.00 C ATOM 1250 CG ASP A 107 -9.794 5.247 -12.002 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -10.109 4.468 -12.886 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -9.208 6.299 -12.197 1.00 0.00 O ATOM 0 H ASP A 107 -10.732 2.322 -9.147 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.592 3.434 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.229 4.696 -10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.930 5.716 -9.897 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.034 2.920 -8.250 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.387 3.105 -6.922 1.00 0.00 C ATOM 1259 C LEU A 108 -6.421 4.256 -6.989 1.00 0.00 C ATOM 1260 O LEU A 108 -6.300 4.944 -7.983 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.624 1.846 -6.518 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.614 0.815 -5.990 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.741 0.652 -7.001 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.896 -0.523 -5.794 1.00 0.00 C ATOM 0 H LEU A 108 -7.877 2.013 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.164 3.307 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.081 1.444 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.884 2.083 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.024 1.144 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.456 -0.084 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.245 1.608 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.330 0.315 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.602 -1.263 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.491 -0.862 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.083 -0.398 -5.078 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.765 4.491 -5.911 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.826 5.631 -5.859 1.00 0.00 C ATOM 1278 C VAL A 109 -3.729 5.381 -4.834 1.00 0.00 C ATOM 1279 O VAL A 109 -3.859 4.553 -3.958 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.637 6.817 -5.407 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.162 6.513 -4.024 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.779 8.079 -5.367 1.00 0.00 C ATOM 0 H VAL A 109 -5.834 3.943 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.357 5.785 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.456 6.993 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.755 7.355 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.785 5.619 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.325 6.345 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.387 8.922 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.952 7.935 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.385 8.283 -6.363 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.666 6.126 -4.919 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.575 6.001 -3.961 1.00 0.00 C ATOM 1294 C LEU A 110 -1.761 7.138 -2.948 1.00 0.00 C ATOM 1295 O LEU A 110 -1.223 8.217 -3.089 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.284 6.150 -4.751 1.00 0.00 C ATOM 1297 CG LEU A 110 0.835 6.581 -3.841 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.974 5.561 -2.714 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.112 6.647 -4.661 1.00 0.00 C ATOM 0 H LEU A 110 -2.519 6.833 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.553 5.050 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.030 5.204 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.418 6.883 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 110 0.633 7.559 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.782 5.863 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.041 5.510 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.198 4.581 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.939 6.958 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.327 5.664 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.988 7.367 -5.470 1.00 0.00 H new ATOM 1311 N THR A 111 -2.584 6.920 -1.963 1.00 0.00 N ATOM 1312 CA THR A 111 -2.871 8.000 -0.974 1.00 0.00 C ATOM 1313 C THR A 111 -1.649 8.299 -0.098 1.00 0.00 C ATOM 1314 O THR A 111 -1.591 9.325 0.549 1.00 0.00 O ATOM 1315 CB THR A 111 -4.048 7.578 -0.094 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.858 6.242 0.351 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.338 7.668 -0.909 1.00 0.00 C ATOM 0 H THR A 111 -3.072 6.040 -1.798 1.00 0.00 H new ATOM 0 HA THR A 111 -3.119 8.909 -1.521 1.00 0.00 H new ATOM 0 HB THR A 111 -4.113 8.237 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.907 6.010 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.182 7.368 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.483 8.694 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.270 7.006 -1.772 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.668 7.439 -0.068 1.00 0.00 N ATOM 1326 CA GLY A 112 0.524 7.741 0.779 1.00 0.00 C ATOM 1327 C GLY A 112 1.505 6.569 0.792 1.00 0.00 C ATOM 1328 O GLY A 112 1.423 5.654 -0.001 1.00 0.00 O ATOM 0 H GLY A 112 -0.637 6.558 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.024 8.633 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.203 7.961 1.797 1.00 0.00 H new ATOM 1332 N TYR A 113 2.451 6.615 1.688 1.00 0.00 N ATOM 1333 CA TYR A 113 3.468 5.550 1.775 1.00 0.00 C ATOM 1334 C TYR A 113 4.549 5.996 2.754 1.00 0.00 C ATOM 1335 O TYR A 113 4.995 7.126 2.716 1.00 0.00 O ATOM 1336 CB TYR A 113 4.111 5.378 0.413 1.00 0.00 C ATOM 1337 CG TYR A 113 4.550 6.730 -0.087 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.797 7.243 0.289 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.708 7.474 -0.919 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.200 8.502 -0.169 1.00 0.00 C ATOM 1341 CE2 TYR A 113 4.110 8.731 -1.376 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.357 9.247 -1.002 1.00 0.00 C ATOM 1343 OH TYR A 113 5.753 10.489 -1.455 1.00 0.00 O ATOM 0 H TYR A 113 2.557 7.363 2.373 1.00 0.00 H new ATOM 0 HA TYR A 113 3.009 4.617 2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.965 4.704 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.405 4.928 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.447 6.668 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.746 7.077 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.162 8.899 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.459 9.305 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 113 6.381 10.885 -0.816 1.00 0.00 H new ATOM 1353 N GLN A 114 5.010 5.130 3.602 1.00 0.00 N ATOM 1354 CA GLN A 114 6.101 5.543 4.528 1.00 0.00 C ATOM 1355 C GLN A 114 7.400 5.051 3.910 1.00 0.00 C ATOM 1356 O GLN A 114 7.706 3.879 3.934 1.00 0.00 O ATOM 1357 CB GLN A 114 5.908 4.944 5.930 1.00 0.00 C ATOM 1358 CG GLN A 114 4.413 4.845 6.256 1.00 0.00 C ATOM 1359 CD GLN A 114 4.110 5.685 7.498 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.150 6.898 7.450 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.808 5.087 8.617 1.00 0.00 N ATOM 0 H GLN A 114 4.688 4.167 3.698 1.00 0.00 H new ATOM 0 HA GLN A 114 6.105 6.626 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.366 3.956 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.410 5.565 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.821 5.197 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.135 3.805 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.774 4.068 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.606 5.638 9.451 1.00 0.00 H new ATOM 1370 N VAL A 115 8.144 5.927 3.305 1.00 0.00 N ATOM 1371 CA VAL A 115 9.381 5.497 2.635 1.00 0.00 C ATOM 1372 C VAL A 115 10.421 5.032 3.645 1.00 0.00 C ATOM 1373 O VAL A 115 10.385 5.377 4.809 1.00 0.00 O ATOM 1374 CB VAL A 115 9.912 6.662 1.823 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.472 7.724 2.756 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.998 6.169 0.888 1.00 0.00 C ATOM 0 H VAL A 115 7.942 6.925 3.249 1.00 0.00 H new ATOM 0 HA VAL A 115 9.166 4.651 1.982 1.00 0.00 H new ATOM 0 HB VAL A 115 9.103 7.097 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.853 8.560 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.683 8.077 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.282 7.298 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.381 7.005 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.809 5.732 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.586 5.415 0.217 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.349 4.247 3.188 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.418 3.733 4.088 1.00 0.00 C ATOM 1388 C ASP A 115A 11.812 3.225 5.403 1.00 0.00 C ATOM 1389 O ASP A 115A 12.461 3.230 6.430 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.411 4.858 4.388 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.751 4.259 4.819 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.555 3.967 3.949 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 14.952 4.101 6.013 1.00 0.00 O ATOM 0 H ASP A 115A 11.416 3.934 2.219 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.929 2.907 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.547 5.481 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.019 5.502 5.175 1.00 0.00 H new ATOM 1398 N LYS A 116 10.582 2.775 5.392 1.00 0.00 N ATOM 1399 CA LYS A 116 9.975 2.269 6.640 1.00 0.00 C ATOM 1400 C LYS A 116 10.022 0.743 6.617 1.00 0.00 C ATOM 1401 O LYS A 116 9.648 0.115 5.646 1.00 0.00 O ATOM 1402 CB LYS A 116 8.529 2.758 6.723 1.00 0.00 C ATOM 1403 CG LYS A 116 8.456 4.080 7.503 1.00 0.00 C ATOM 1404 CD LYS A 116 9.232 3.987 8.824 1.00 0.00 C ATOM 1405 CE LYS A 116 8.975 5.246 9.656 1.00 0.00 C ATOM 1406 NZ LYS A 116 10.111 6.193 9.479 1.00 0.00 N ATOM 0 H LYS A 116 9.980 2.740 4.569 1.00 0.00 H new ATOM 0 HA LYS A 116 10.520 2.633 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.127 2.898 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.911 2.005 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.863 4.887 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.414 4.329 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.922 3.102 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.298 3.881 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.042 5.717 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.865 4.984 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.940 7.050 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.992 5.741 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.195 6.451 8.475 1.00 0.00 H new ATOM 1420 N ASN A 117 10.509 0.141 7.666 1.00 0.00 N ATOM 1421 CA ASN A 117 10.614 -1.345 7.688 1.00 0.00 C ATOM 1422 C ASN A 117 9.542 -1.958 8.589 1.00 0.00 C ATOM 1423 O ASN A 117 8.509 -1.371 8.840 1.00 0.00 O ATOM 1424 CB ASN A 117 11.999 -1.740 8.205 1.00 0.00 C ATOM 1425 CG ASN A 117 13.062 -0.870 7.531 1.00 0.00 C ATOM 1426 OD1 ASN A 117 14.145 -0.699 8.054 1.00 0.00 O ATOM 1427 ND2 ASN A 117 12.795 -0.306 6.386 1.00 0.00 N ATOM 0 H ASN A 117 10.839 0.613 8.508 1.00 0.00 H new ATOM 0 HA ASN A 117 10.466 -1.720 6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.044 -1.615 9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.190 -2.793 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.495 0.279 5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.886 -0.449 5.947 1.00 0.00 H new ATOM 1434 N LYS A 118 9.787 -3.150 9.064 1.00 0.00 N ATOM 1435 CA LYS A 118 8.799 -3.840 9.942 1.00 0.00 C ATOM 1436 C LYS A 118 8.523 -2.993 11.184 1.00 0.00 C ATOM 1437 O LYS A 118 7.391 -2.817 11.590 1.00 0.00 O ATOM 1438 CB LYS A 118 9.376 -5.190 10.372 1.00 0.00 C ATOM 1439 CG LYS A 118 8.386 -5.910 11.289 1.00 0.00 C ATOM 1440 CD LYS A 118 8.840 -7.356 11.495 1.00 0.00 C ATOM 1441 CE LYS A 118 9.275 -7.552 12.949 1.00 0.00 C ATOM 1442 NZ LYS A 118 10.744 -7.327 13.060 1.00 0.00 N ATOM 0 H LYS A 118 10.639 -3.680 8.879 1.00 0.00 H new ATOM 0 HA LYS A 118 7.868 -3.986 9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 118 9.584 -5.802 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.324 -5.042 10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.324 -5.397 12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.388 -5.890 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.028 -8.041 11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.666 -7.588 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.740 -6.858 13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.024 -8.559 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.042 -7.460 14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.246 -8.006 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.971 -6.358 12.757 1.00 0.00 H new ATOM 1456 N ASP A 119 9.551 -2.477 11.796 1.00 0.00 N ATOM 1457 CA ASP A 119 9.361 -1.654 13.013 1.00 0.00 C ATOM 1458 C ASP A 119 8.247 -0.627 12.781 1.00 0.00 C ATOM 1459 O ASP A 119 7.651 -0.130 13.715 1.00 0.00 O ATOM 1460 CB ASP A 119 10.663 -0.916 13.365 1.00 0.00 C ATOM 1461 CG ASP A 119 11.734 -1.092 12.283 1.00 0.00 C ATOM 1462 OD1 ASP A 119 11.606 -0.464 11.244 1.00 0.00 O ATOM 1463 OD2 ASP A 119 12.663 -1.849 12.513 1.00 0.00 O ATOM 0 H ASP A 119 10.520 -2.593 11.500 1.00 0.00 H new ATOM 0 HA ASP A 119 9.086 -2.312 13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.453 0.145 13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.044 -1.287 14.316 1.00 0.00 H new ATOM 1468 N ASP A 120 7.970 -0.293 11.551 1.00 0.00 N ATOM 1469 CA ASP A 120 6.904 0.713 11.280 1.00 0.00 C ATOM 1470 C ASP A 120 5.543 0.042 11.140 1.00 0.00 C ATOM 1471 O ASP A 120 5.332 -0.790 10.280 1.00 0.00 O ATOM 1472 CB ASP A 120 7.197 1.446 9.974 1.00 0.00 C ATOM 1473 CG ASP A 120 6.691 2.886 10.078 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.292 3.652 10.812 1.00 0.00 O ATOM 1475 OD2 ASP A 120 5.707 3.196 9.429 1.00 0.00 O ATOM 0 H ASP A 120 8.433 -0.671 10.725 1.00 0.00 H new ATOM 0 HA ASP A 120 6.889 1.409 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.268 1.438 9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.712 0.937 9.141 1.00 0.00 H new ATOM 1480 N GLU A 121 4.603 0.437 11.945 1.00 0.00 N ATOM 1481 CA GLU A 121 3.242 -0.131 11.820 1.00 0.00 C ATOM 1482 C GLU A 121 2.443 0.831 10.945 1.00 0.00 C ATOM 1483 O GLU A 121 2.495 2.029 11.134 1.00 0.00 O ATOM 1484 CB GLU A 121 2.600 -0.243 13.205 1.00 0.00 C ATOM 1485 CG GLU A 121 2.056 -1.660 13.398 1.00 0.00 C ATOM 1486 CD GLU A 121 2.663 -2.271 14.663 1.00 0.00 C ATOM 1487 OE1 GLU A 121 2.155 -1.990 15.737 1.00 0.00 O ATOM 1488 OE2 GLU A 121 3.625 -3.009 14.536 1.00 0.00 O ATOM 0 H GLU A 121 4.720 1.130 12.685 1.00 0.00 H new ATOM 0 HA GLU A 121 3.267 -1.128 11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.334 -0.015 13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.795 0.485 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.969 -1.636 13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.298 -2.275 12.532 1.00 0.00 H new ATOM 1495 N LEU A 122 1.734 0.341 9.971 1.00 0.00 N ATOM 1496 CA LEU A 122 0.973 1.270 9.089 1.00 0.00 C ATOM 1497 C LEU A 122 -0.031 2.041 9.920 1.00 0.00 C ATOM 1498 O LEU A 122 -0.013 3.248 9.966 1.00 0.00 O ATOM 1499 CB LEU A 122 0.278 0.479 8.000 1.00 0.00 C ATOM 1500 CG LEU A 122 1.359 -0.279 7.259 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.284 -1.753 7.603 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.203 -0.103 5.763 1.00 0.00 C ATOM 0 H LEU A 122 1.647 -0.650 9.747 1.00 0.00 H new ATOM 0 HA LEU A 122 1.654 1.979 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.454 -0.207 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.263 1.142 7.325 1.00 0.00 H new ATOM 0 HG LEU A 122 2.327 0.119 7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.065 -2.292 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.425 -1.884 8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.309 -2.145 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.989 -0.655 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.230 -0.482 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.278 0.955 5.511 1.00 0.00 H new ATOM 1514 N THR A 123 -0.881 1.363 10.624 1.00 0.00 N ATOM 1515 CA THR A 123 -1.844 2.090 11.488 1.00 0.00 C ATOM 1516 C THR A 123 -2.663 3.077 10.647 1.00 0.00 C ATOM 1517 O THR A 123 -2.715 2.994 9.438 1.00 0.00 O ATOM 1518 CB THR A 123 -1.075 2.857 12.592 1.00 0.00 C ATOM 1519 OG1 THR A 123 -1.203 4.258 12.389 1.00 0.00 O ATOM 1520 CG2 THR A 123 0.417 2.499 12.564 1.00 0.00 C ATOM 0 H THR A 123 -0.953 0.346 10.641 1.00 0.00 H new ATOM 0 HA THR A 123 -2.521 1.372 11.950 1.00 0.00 H new ATOM 0 HB THR A 123 -1.500 2.574 13.555 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.715 4.736 13.092 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.938 3.049 13.348 1.00 0.00 H new ATOM 0 HG22 THR A 123 0.538 1.429 12.731 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.837 2.765 11.594 1.00 0.00 H new ATOM 1528 N GLY A 124 -3.305 4.002 11.301 1.00 0.00 N ATOM 1529 CA GLY A 124 -4.154 5.022 10.599 1.00 0.00 C ATOM 1530 C GLY A 124 -3.397 5.696 9.452 1.00 0.00 C ATOM 1531 O GLY A 124 -3.988 6.335 8.606 1.00 0.00 O ATOM 0 H GLY A 124 -3.281 4.102 12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.052 4.542 10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.480 5.778 11.313 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.108 5.561 9.404 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.341 6.199 8.292 1.00 0.00 C ATOM 1537 C PHE A 125 -1.927 5.740 6.949 1.00 0.00 C ATOM 1538 O PHE A 125 -1.621 4.634 6.538 1.00 0.00 O ATOM 1539 CB PHE A 125 0.153 5.827 8.415 1.00 0.00 C ATOM 1540 CG PHE A 125 0.735 5.463 7.065 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.838 6.426 6.055 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.148 4.147 6.823 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.357 6.071 4.805 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.661 3.792 5.571 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.764 4.755 4.563 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.672 6.505 6.359 1.00 0.00 O ATOM 0 H PHE A 125 -1.548 5.041 10.080 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.422 7.284 8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.706 6.665 8.839 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.267 4.989 9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.518 7.441 6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.070 3.405 7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.443 6.814 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.977 2.776 5.384 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.159 4.482 3.595 1.00 0.00 H new TER 1556 PHE A 125