USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 812 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 HIS : no HD1:sc= 0.0156 K(o=1.6,f=0.17) USER MOD Set 2.2: A 87 TYR OH : rot -145:sc= 1.05 USER MOD Set 2.3: A 102 TYR OH : rot 154:sc= 0.502 USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 93 THR OG1 : rot -30:sc= 0.513 USER MOD Set 4.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 78 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.026) USER MOD Set 5.1: A 11 HIS : no HD1:sc= -0.403 X(o=-0.39,f=-0.85) USER MOD Set 5.2: A 18 THR OG1 : rot -159:sc= 0.0153 USER MOD Single : A 2 MET CE :methyl -160:sc= -0.134 (180deg=-0.67) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0617 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.689 USER MOD Single : A 37 SER OG : rot 62:sc= 0.0126 USER MOD Single : A 51 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.2) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.596) USER MOD Single : A 56 ASN : amide:sc= 0.0157 X(o=0.016,f=-0.0024) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 80 SER OG : rot 180:sc= -0.032 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 89 TYR OH : rot -49:sc= 0.934 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc=-8.54e-05 (180deg=-0.121) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.247 -0.450 8.587 1.00 13.34 N ATOM 9 CA MET A 2 17.854 -0.432 8.101 1.00 32.23 C ATOM 10 C MET A 2 17.482 -1.829 7.583 1.00 22.41 C ATOM 11 O MET A 2 18.326 -2.729 7.489 1.00 43.00 O ATOM 12 CB MET A 2 17.652 0.719 7.089 1.00 74.30 C ATOM 13 CG MET A 2 16.251 1.334 7.139 1.00 20.14 C ATOM 14 SD MET A 2 16.047 2.928 6.285 1.00 33.44 S ATOM 15 CE MET A 2 17.245 3.972 7.162 1.00 33.53 C ATOM 0 HA MET A 2 17.156 -0.215 8.910 1.00 32.23 H new ATOM 0 HB2 MET A 2 18.390 1.498 7.284 1.00 74.30 H new ATOM 0 HB3 MET A 2 17.841 0.345 6.083 1.00 74.30 H new ATOM 0 HG2 MET A 2 15.548 0.621 6.708 1.00 20.14 H new ATOM 0 HG3 MET A 2 15.971 1.466 8.184 1.00 20.14 H new ATOM 0 HE1 MET A 2 16.994 5.022 7.009 1.00 33.53 H new ATOM 0 HE2 MET A 2 17.216 3.743 8.227 1.00 33.53 H new ATOM 0 HE3 MET A 2 18.246 3.779 6.777 1.00 33.53 H new ATOM 25 N ARG A 3 16.212 -2.074 7.289 1.00 4.34 N ATOM 26 CA ARG A 3 15.788 -3.256 6.554 1.00 11.22 C ATOM 27 C ARG A 3 15.731 -2.848 5.093 1.00 55.01 C ATOM 28 O ARG A 3 14.671 -2.489 4.592 1.00 31.43 O ATOM 29 CB ARG A 3 14.461 -3.728 7.133 1.00 55.13 C ATOM 30 CG ARG A 3 14.706 -4.622 8.356 1.00 21.22 C ATOM 31 CD ARG A 3 14.561 -6.095 7.963 1.00 40.40 C ATOM 32 NE ARG A 3 15.863 -6.723 7.695 1.00 53.13 N ATOM 33 CZ ARG A 3 16.090 -7.755 6.881 1.00 45.23 C ATOM 34 NH1 ARG A 3 15.109 -8.287 6.164 1.00 25.34 N ATOM 35 NH2 ARG A 3 17.313 -8.255 6.790 1.00 23.13 N ATOM 0 H ARG A 3 15.445 -1.456 7.555 1.00 4.34 H new ATOM 0 HA ARG A 3 16.467 -4.104 6.639 1.00 11.22 H new ATOM 0 HB2 ARG A 3 13.853 -2.869 7.417 1.00 55.13 H new ATOM 0 HB3 ARG A 3 13.901 -4.278 6.377 1.00 55.13 H new ATOM 0 HG2 ARG A 3 15.703 -4.440 8.756 1.00 21.22 H new ATOM 0 HG3 ARG A 3 13.996 -4.376 9.145 1.00 21.22 H new ATOM 0 HD2 ARG A 3 14.055 -6.636 8.763 1.00 40.40 H new ATOM 0 HD3 ARG A 3 13.931 -6.174 7.077 1.00 40.40 H new ATOM 0 HE ARG A 3 16.671 -6.331 8.179 1.00 53.13 H new ATOM 0 HH11 ARG A 3 14.165 -7.907 6.231 1.00 25.34 H new ATOM 0 HH12 ARG A 3 15.299 -9.076 5.546 1.00 25.34 H new ATOM 0 HH21 ARG A 3 18.071 -7.851 7.340 1.00 23.13 H new ATOM 0 HH22 ARG A 3 17.497 -9.044 6.170 1.00 23.13 H new ATOM 49 N ILE A 4 16.878 -2.804 4.415 1.00 41.00 N ATOM 50 CA ILE A 4 16.903 -2.425 3.006 1.00 41.10 C ATOM 51 C ILE A 4 16.635 -3.708 2.220 1.00 24.54 C ATOM 52 O ILE A 4 17.401 -4.669 2.368 1.00 31.44 O ATOM 53 CB ILE A 4 18.217 -1.745 2.576 1.00 32.31 C ATOM 54 CG1 ILE A 4 18.527 -0.566 3.521 1.00 72.32 C ATOM 55 CG2 ILE A 4 18.060 -1.257 1.120 1.00 74.34 C ATOM 56 CD1 ILE A 4 19.858 0.124 3.234 1.00 75.31 C ATOM 0 H ILE A 4 17.791 -3.024 4.814 1.00 41.00 H new ATOM 0 HA ILE A 4 16.144 -1.669 2.808 1.00 41.10 H new ATOM 0 HB ILE A 4 19.047 -2.449 2.633 1.00 32.31 H new ATOM 0 HG12 ILE A 4 17.725 0.168 3.445 1.00 72.32 H new ATOM 0 HG13 ILE A 4 18.531 -0.929 4.549 1.00 72.32 H new ATOM 0 HG21 ILE A 4 18.981 -0.772 0.797 1.00 74.34 H new ATOM 0 HG22 ILE A 4 17.851 -2.108 0.472 1.00 74.34 H new ATOM 0 HG23 ILE A 4 17.236 -0.546 1.061 1.00 74.34 H new ATOM 0 HD11 ILE A 4 20.004 0.942 3.940 1.00 75.31 H new ATOM 0 HD12 ILE A 4 20.671 -0.595 3.339 1.00 75.31 H new ATOM 0 HD13 ILE A 4 19.852 0.519 2.218 1.00 75.31 H new ATOM 68 N PRO A 5 15.559 -3.783 1.429 1.00 2.04 N ATOM 69 CA PRO A 5 15.262 -4.954 0.622 1.00 4.42 C ATOM 70 C PRO A 5 16.318 -5.164 -0.448 1.00 21.11 C ATOM 71 O PRO A 5 17.048 -4.246 -0.825 1.00 43.20 O ATOM 72 CB PRO A 5 13.890 -4.698 0.001 1.00 13.11 C ATOM 73 CG PRO A 5 13.793 -3.180 -0.010 1.00 63.43 C ATOM 74 CD PRO A 5 14.581 -2.738 1.207 1.00 74.54 C ATOM 0 HA PRO A 5 15.260 -5.861 1.226 1.00 4.42 H new ATOM 0 HB2 PRO A 5 13.819 -5.114 -1.004 1.00 13.11 H new ATOM 0 HB3 PRO A 5 13.091 -5.149 0.590 1.00 13.11 H new ATOM 0 HG2 PRO A 5 14.211 -2.763 -0.926 1.00 63.43 H new ATOM 0 HG3 PRO A 5 12.756 -2.849 0.047 1.00 63.43 H new ATOM 0 HD2 PRO A 5 15.065 -1.777 1.034 1.00 74.54 H new ATOM 0 HD3 PRO A 5 13.931 -2.617 2.074 1.00 74.54 H new ATOM 82 N SER A 6 16.364 -6.391 -0.957 1.00 73.52 N ATOM 83 CA SER A 6 17.263 -6.786 -2.026 1.00 72.21 C ATOM 84 C SER A 6 16.603 -7.670 -3.085 1.00 13.15 C ATOM 85 O SER A 6 17.289 -8.120 -4.004 1.00 13.13 O ATOM 86 CB SER A 6 18.489 -7.465 -1.433 1.00 1.12 C ATOM 87 OG SER A 6 19.267 -6.558 -0.663 1.00 24.23 O ATOM 0 H SER A 6 15.765 -7.149 -0.630 1.00 73.52 H new ATOM 0 HA SER A 6 17.559 -5.877 -2.550 1.00 72.21 H new ATOM 0 HB2 SER A 6 18.176 -8.300 -0.806 1.00 1.12 H new ATOM 0 HB3 SER A 6 19.100 -7.880 -2.235 1.00 1.12 H new ATOM 0 HG SER A 6 20.046 -7.026 -0.295 1.00 24.23 H new ATOM 93 N ALA A 7 15.289 -7.886 -2.992 1.00 4.04 N ATOM 94 CA ALA A 7 14.512 -8.472 -4.087 1.00 2.42 C ATOM 95 C ALA A 7 13.354 -7.562 -4.475 1.00 74.10 C ATOM 96 O ALA A 7 12.183 -7.928 -4.371 1.00 22.32 O ATOM 97 CB ALA A 7 14.085 -9.909 -3.763 1.00 41.00 C ATOM 0 H ALA A 7 14.738 -7.662 -2.164 1.00 4.04 H new ATOM 0 HA ALA A 7 15.149 -8.548 -4.969 1.00 2.42 H new ATOM 0 HB1 ALA A 7 13.510 -10.314 -4.596 1.00 41.00 H new ATOM 0 HB2 ALA A 7 14.970 -10.524 -3.600 1.00 41.00 H new ATOM 0 HB3 ALA A 7 13.470 -9.912 -2.863 1.00 41.00 H new ATOM 103 N ILE A 8 13.682 -6.334 -4.866 1.00 24.33 N ATOM 104 CA ILE A 8 12.697 -5.362 -5.300 1.00 44.00 C ATOM 105 C ILE A 8 12.192 -5.761 -6.682 1.00 3.25 C ATOM 106 O ILE A 8 12.898 -5.598 -7.681 1.00 71.44 O ATOM 107 CB ILE A 8 13.313 -3.942 -5.236 1.00 1.43 C ATOM 108 CG1 ILE A 8 13.554 -3.530 -3.775 1.00 3.42 C ATOM 109 CG2 ILE A 8 12.542 -2.808 -5.934 1.00 51.10 C ATOM 110 CD1 ILE A 8 12.302 -3.633 -2.909 1.00 21.24 C ATOM 0 H ILE A 8 14.642 -5.989 -4.889 1.00 24.33 H new ATOM 0 HA ILE A 8 11.829 -5.344 -4.641 1.00 44.00 H new ATOM 0 HB ILE A 8 14.237 -4.052 -5.803 1.00 1.43 H new ATOM 0 HG12 ILE A 8 14.335 -4.161 -3.350 1.00 3.42 H new ATOM 0 HG13 ILE A 8 13.923 -2.505 -3.749 1.00 3.42 H new ATOM 0 HG21 ILE A 8 13.084 -1.870 -5.811 1.00 51.10 H new ATOM 0 HG22 ILE A 8 12.444 -3.034 -6.996 1.00 51.10 H new ATOM 0 HG23 ILE A 8 11.551 -2.715 -5.490 1.00 51.10 H new ATOM 0 HD11 ILE A 8 12.539 -3.328 -1.890 1.00 21.24 H new ATOM 0 HD12 ILE A 8 11.527 -2.981 -3.312 1.00 21.24 H new ATOM 0 HD13 ILE A 8 11.945 -4.663 -2.906 1.00 21.24 H new ATOM 122 N GLN A 9 10.951 -6.235 -6.726 1.00 13.34 N ATOM 123 CA GLN A 9 10.138 -6.370 -7.927 1.00 61.24 C ATOM 124 C GLN A 9 8.878 -5.531 -7.723 1.00 2.13 C ATOM 125 O GLN A 9 8.407 -5.394 -6.588 1.00 32.32 O ATOM 126 CB GLN A 9 9.763 -7.841 -8.161 1.00 42.14 C ATOM 127 CG GLN A 9 10.809 -8.635 -8.944 1.00 73.14 C ATOM 128 CD GLN A 9 10.268 -10.018 -9.297 1.00 42.13 C ATOM 129 OE1 GLN A 9 9.919 -10.299 -10.443 1.00 70.30 O ATOM 130 NE2 GLN A 9 10.154 -10.912 -8.331 1.00 53.41 N ATOM 0 H GLN A 9 10.464 -6.549 -5.887 1.00 13.34 H new ATOM 0 HA GLN A 9 10.692 -6.028 -8.801 1.00 61.24 H new ATOM 0 HB2 GLN A 9 9.605 -8.322 -7.196 1.00 42.14 H new ATOM 0 HB3 GLN A 9 8.815 -7.882 -8.697 1.00 42.14 H new ATOM 0 HG2 GLN A 9 11.077 -8.098 -9.854 1.00 73.14 H new ATOM 0 HG3 GLN A 9 11.719 -8.733 -8.352 1.00 73.14 H new ATOM 0 HE21 GLN A 9 10.444 -10.677 -7.382 1.00 53.41 H new ATOM 0 HE22 GLN A 9 9.776 -11.837 -8.534 1.00 53.41 H new ATOM 139 N LEU A 10 8.339 -4.957 -8.801 1.00 54.40 N ATOM 140 CA LEU A 10 7.104 -4.185 -8.820 1.00 43.40 C ATOM 141 C LEU A 10 6.006 -4.882 -9.622 1.00 12.21 C ATOM 142 O LEU A 10 4.893 -4.361 -9.698 1.00 62.30 O ATOM 143 CB LEU A 10 7.384 -2.772 -9.361 1.00 21.43 C ATOM 144 CG LEU A 10 7.346 -2.543 -10.888 1.00 71.21 C ATOM 145 CD1 LEU A 10 7.563 -1.053 -11.189 1.00 70.44 C ATOM 146 CD2 LEU A 10 8.367 -3.398 -11.645 1.00 52.30 C ATOM 0 H LEU A 10 8.773 -5.023 -9.722 1.00 54.40 H new ATOM 0 HA LEU A 10 6.735 -4.105 -7.797 1.00 43.40 H new ATOM 0 HB2 LEU A 10 6.661 -2.095 -8.907 1.00 21.43 H new ATOM 0 HB3 LEU A 10 8.370 -2.471 -9.006 1.00 21.43 H new ATOM 0 HG LEU A 10 6.363 -2.855 -11.240 1.00 71.21 H new ATOM 0 HD11 LEU A 10 7.536 -0.892 -12.267 1.00 70.44 H new ATOM 0 HD12 LEU A 10 6.775 -0.468 -10.715 1.00 70.44 H new ATOM 0 HD13 LEU A 10 8.532 -0.740 -10.799 1.00 70.44 H new ATOM 0 HD21 LEU A 10 8.293 -3.193 -12.713 1.00 52.30 H new ATOM 0 HD22 LEU A 10 9.372 -3.157 -11.298 1.00 52.30 H new ATOM 0 HD23 LEU A 10 8.164 -4.453 -11.463 1.00 52.30 H new ATOM 158 N HIS A 11 6.350 -5.997 -10.271 1.00 33.42 N ATOM 159 CA HIS A 11 5.556 -6.797 -11.191 1.00 3.14 C ATOM 160 C HIS A 11 4.793 -5.927 -12.176 1.00 11.31 C ATOM 161 O HIS A 11 3.639 -5.574 -11.946 1.00 44.14 O ATOM 162 CB HIS A 11 4.692 -7.830 -10.469 1.00 4.13 C ATOM 163 CG HIS A 11 5.549 -8.883 -9.827 1.00 12.03 C ATOM 164 ND1 HIS A 11 5.850 -10.109 -10.367 1.00 44.03 N ATOM 165 CD2 HIS A 11 6.277 -8.743 -8.680 1.00 4.43 C ATOM 166 CE1 HIS A 11 6.751 -10.692 -9.566 1.00 64.13 C ATOM 167 NE2 HIS A 11 7.053 -9.894 -8.530 1.00 24.52 N ATOM 0 H HIS A 11 7.281 -6.395 -10.150 1.00 33.42 H new ATOM 0 HA HIS A 11 6.246 -7.387 -11.795 1.00 3.14 H new ATOM 0 HB2 HIS A 11 4.084 -7.337 -9.711 1.00 4.13 H new ATOM 0 HB3 HIS A 11 4.005 -8.295 -11.176 1.00 4.13 H new ATOM 0 HD2 HIS A 11 6.256 -7.896 -8.011 1.00 4.43 H new ATOM 0 HE1 HIS A 11 7.177 -11.671 -9.731 1.00 64.13 H new ATOM 0 HE2 HIS A 11 7.718 -10.090 -7.781 1.00 24.52 H new ATOM 175 N LYS A 12 5.393 -5.587 -13.310 1.00 23.52 N ATOM 176 CA LYS A 12 4.640 -4.970 -14.397 1.00 43.03 C ATOM 177 C LYS A 12 3.528 -5.906 -14.882 1.00 45.44 C ATOM 178 O LYS A 12 2.491 -5.417 -15.325 1.00 74.33 O ATOM 179 CB LYS A 12 5.617 -4.634 -15.526 1.00 50.21 C ATOM 180 CG LYS A 12 6.519 -3.437 -15.173 1.00 25.14 C ATOM 181 CD LYS A 12 6.355 -2.236 -16.110 1.00 53.00 C ATOM 182 CE LYS A 12 4.891 -1.822 -16.260 1.00 54.04 C ATOM 183 NZ LYS A 12 4.766 -0.553 -16.991 1.00 53.30 N ATOM 0 H LYS A 12 6.385 -5.725 -13.501 1.00 23.52 H new ATOM 0 HA LYS A 12 4.159 -4.056 -14.050 1.00 43.03 H new ATOM 0 HB2 LYS A 12 6.237 -5.505 -15.739 1.00 50.21 H new ATOM 0 HB3 LYS A 12 5.058 -4.411 -16.435 1.00 50.21 H new ATOM 0 HG2 LYS A 12 6.303 -3.121 -14.152 1.00 25.14 H new ATOM 0 HG3 LYS A 12 7.560 -3.761 -15.193 1.00 25.14 H new ATOM 0 HD2 LYS A 12 6.932 -1.395 -15.726 1.00 53.00 H new ATOM 0 HD3 LYS A 12 6.764 -2.482 -17.090 1.00 53.00 H new ATOM 0 HE2 LYS A 12 4.342 -2.603 -16.787 1.00 54.04 H new ATOM 0 HE3 LYS A 12 4.436 -1.722 -15.274 1.00 54.04 H new ATOM 0 HZ1 LYS A 12 3.761 -0.299 -17.076 1.00 53.30 H new ATOM 0 HZ2 LYS A 12 5.270 0.196 -16.475 1.00 53.30 H new ATOM 0 HZ3 LYS A 12 5.179 -0.657 -17.940 1.00 53.30 H new ATOM 197 N ALA A 13 3.711 -7.220 -14.723 1.00 34.33 N ATOM 198 CA ALA A 13 2.683 -8.237 -14.880 1.00 41.12 C ATOM 199 C ALA A 13 1.434 -7.934 -14.044 1.00 63.21 C ATOM 200 O ALA A 13 0.336 -7.834 -14.591 1.00 30.24 O ATOM 201 CB ALA A 13 3.285 -9.592 -14.489 1.00 41.24 C ATOM 0 H ALA A 13 4.618 -7.614 -14.471 1.00 34.33 H new ATOM 0 HA ALA A 13 2.357 -8.252 -15.920 1.00 41.12 H new ATOM 0 HB1 ALA A 13 2.530 -10.371 -14.599 1.00 41.24 H new ATOM 0 HB2 ALA A 13 4.133 -9.814 -15.137 1.00 41.24 H new ATOM 0 HB3 ALA A 13 3.620 -9.556 -13.452 1.00 41.24 H new ATOM 207 N SER A 14 1.595 -7.784 -12.729 1.00 72.41 N ATOM 208 CA SER A 14 0.515 -7.959 -11.756 1.00 70.33 C ATOM 209 C SER A 14 0.282 -6.744 -10.854 1.00 54.44 C ATOM 210 O SER A 14 -0.688 -6.725 -10.103 1.00 1.04 O ATOM 211 CB SER A 14 0.854 -9.190 -10.917 1.00 34.11 C ATOM 212 OG SER A 14 0.984 -10.318 -11.757 1.00 33.52 O ATOM 0 H SER A 14 2.488 -7.535 -12.304 1.00 72.41 H new ATOM 0 HA SER A 14 -0.419 -8.083 -12.304 1.00 70.33 H new ATOM 0 HB2 SER A 14 1.781 -9.024 -10.369 1.00 34.11 H new ATOM 0 HB3 SER A 14 0.073 -9.364 -10.177 1.00 34.11 H new ATOM 0 HG SER A 14 1.203 -11.105 -11.216 1.00 33.52 H new ATOM 218 N LYS A 15 1.105 -5.705 -10.987 1.00 62.40 N ATOM 219 CA LYS A 15 1.172 -4.512 -10.158 1.00 54.12 C ATOM 220 C LYS A 15 1.335 -4.887 -8.678 1.00 33.12 C ATOM 221 O LYS A 15 0.400 -4.740 -7.886 1.00 71.14 O ATOM 222 CB LYS A 15 -0.027 -3.596 -10.440 1.00 34.11 C ATOM 223 CG LYS A 15 -0.335 -3.350 -11.937 1.00 72.54 C ATOM 224 CD LYS A 15 -1.743 -3.844 -12.320 1.00 4.14 C ATOM 225 CE LYS A 15 -2.392 -2.937 -13.370 1.00 25.32 C ATOM 226 NZ LYS A 15 -3.817 -3.253 -13.563 1.00 31.32 N ATOM 0 H LYS A 15 1.795 -5.678 -11.738 1.00 62.40 H new ATOM 0 HA LYS A 15 2.060 -3.936 -10.417 1.00 54.12 H new ATOM 0 HB2 LYS A 15 -0.911 -4.028 -9.970 1.00 34.11 H new ATOM 0 HB3 LYS A 15 0.151 -2.634 -9.960 1.00 34.11 H new ATOM 0 HG2 LYS A 15 -0.252 -2.285 -12.155 1.00 72.54 H new ATOM 0 HG3 LYS A 15 0.408 -3.860 -12.550 1.00 72.54 H new ATOM 0 HD2 LYS A 15 -1.680 -4.861 -12.706 1.00 4.14 H new ATOM 0 HD3 LYS A 15 -2.372 -3.879 -11.430 1.00 4.14 H new ATOM 0 HE2 LYS A 15 -2.289 -1.896 -13.064 1.00 25.32 H new ATOM 0 HE3 LYS A 15 -1.865 -3.044 -14.318 1.00 25.32 H new ATOM 0 HZ1 LYS A 15 -4.219 -2.617 -14.281 1.00 31.32 H new ATOM 0 HZ2 LYS A 15 -3.914 -4.239 -13.880 1.00 31.32 H new ATOM 0 HZ3 LYS A 15 -4.325 -3.126 -12.665 1.00 31.32 H new ATOM 240 N THR A 16 2.535 -5.333 -8.304 1.00 41.23 N ATOM 241 CA THR A 16 2.783 -5.996 -7.027 1.00 73.30 C ATOM 242 C THR A 16 4.126 -5.552 -6.444 1.00 24.31 C ATOM 243 O THR A 16 5.171 -5.874 -7.017 1.00 73.34 O ATOM 244 CB THR A 16 2.800 -7.518 -7.242 1.00 74.33 C ATOM 245 OG1 THR A 16 1.790 -7.969 -8.120 1.00 23.21 O ATOM 246 CG2 THR A 16 2.669 -8.257 -5.924 1.00 42.32 C ATOM 0 H THR A 16 3.368 -5.242 -8.885 1.00 41.23 H new ATOM 0 HA THR A 16 1.991 -5.725 -6.329 1.00 73.30 H new ATOM 0 HB THR A 16 3.764 -7.736 -7.701 1.00 74.33 H new ATOM 0 HG1 THR A 16 1.748 -8.948 -8.096 1.00 23.21 H new ATOM 0 HG21 THR A 16 2.684 -9.332 -6.106 1.00 42.32 H new ATOM 0 HG22 THR A 16 3.500 -7.988 -5.272 1.00 42.32 H new ATOM 0 HG23 THR A 16 1.729 -7.983 -5.445 1.00 42.32 H new ATOM 254 N LEU A 17 4.145 -4.844 -5.310 1.00 65.51 N ATOM 255 CA LEU A 17 5.410 -4.547 -4.636 1.00 3.24 C ATOM 256 C LEU A 17 5.817 -5.782 -3.836 1.00 12.41 C ATOM 257 O LEU A 17 5.148 -6.166 -2.876 1.00 73.31 O ATOM 258 CB LEU A 17 5.329 -3.296 -3.751 1.00 4.31 C ATOM 259 CG LEU A 17 6.679 -2.962 -3.064 1.00 42.01 C ATOM 260 CD1 LEU A 17 7.865 -2.878 -4.034 1.00 31.55 C ATOM 261 CD2 LEU A 17 6.609 -1.615 -2.342 1.00 30.21 C ATOM 0 H LEU A 17 3.315 -4.473 -4.848 1.00 65.51 H new ATOM 0 HA LEU A 17 6.169 -4.317 -5.384 1.00 3.24 H new ATOM 0 HB2 LEU A 17 5.014 -2.447 -4.357 1.00 4.31 H new ATOM 0 HB3 LEU A 17 4.564 -3.444 -2.988 1.00 4.31 H new ATOM 0 HG LEU A 17 6.843 -3.788 -2.372 1.00 42.01 H new ATOM 0 HD11 LEU A 17 8.773 -2.641 -3.479 1.00 31.55 H new ATOM 0 HD12 LEU A 17 7.989 -3.835 -4.541 1.00 31.55 H new ATOM 0 HD13 LEU A 17 7.677 -2.098 -4.772 1.00 31.55 H new ATOM 0 HD21 LEU A 17 7.568 -1.405 -1.869 1.00 30.21 H new ATOM 0 HD22 LEU A 17 6.379 -0.828 -3.061 1.00 30.21 H new ATOM 0 HD23 LEU A 17 5.829 -1.650 -1.581 1.00 30.21 H new ATOM 273 N THR A 18 6.886 -6.441 -4.268 1.00 21.45 N ATOM 274 CA THR A 18 7.341 -7.692 -3.670 1.00 13.31 C ATOM 275 C THR A 18 8.521 -7.408 -2.745 1.00 5.14 C ATOM 276 O THR A 18 9.455 -6.717 -3.156 1.00 10.45 O ATOM 277 CB THR A 18 7.670 -8.640 -4.820 1.00 54.40 C ATOM 278 OG1 THR A 18 6.515 -8.758 -5.624 1.00 3.31 O ATOM 279 CG2 THR A 18 8.095 -10.042 -4.398 1.00 54.33 C ATOM 0 H THR A 18 7.464 -6.122 -5.046 1.00 21.45 H new ATOM 0 HA THR A 18 6.583 -8.165 -3.046 1.00 13.31 H new ATOM 0 HB THR A 18 8.524 -8.208 -5.342 1.00 54.40 H new ATOM 0 HG1 THR A 18 6.568 -9.581 -6.154 1.00 3.31 H new ATOM 0 HG21 THR A 18 8.307 -10.640 -5.284 1.00 54.33 H new ATOM 0 HG22 THR A 18 8.990 -9.980 -3.779 1.00 54.33 H new ATOM 0 HG23 THR A 18 7.292 -10.510 -3.828 1.00 54.33 H new ATOM 287 N LEU A 19 8.459 -7.905 -1.501 1.00 72.20 N ATOM 288 CA LEU A 19 9.383 -7.587 -0.415 1.00 61.42 C ATOM 289 C LEU A 19 9.734 -8.848 0.374 1.00 61.43 C ATOM 290 O LEU A 19 8.847 -9.594 0.791 1.00 4.02 O ATOM 291 CB LEU A 19 8.772 -6.532 0.526 1.00 22.54 C ATOM 292 CG LEU A 19 8.570 -5.136 -0.084 1.00 74.12 C ATOM 293 CD1 LEU A 19 8.073 -4.178 1.006 1.00 54.23 C ATOM 294 CD2 LEU A 19 9.850 -4.542 -0.682 1.00 43.01 C ATOM 0 H LEU A 19 7.734 -8.564 -1.218 1.00 72.20 H new ATOM 0 HA LEU A 19 10.294 -7.179 -0.853 1.00 61.42 H new ATOM 0 HB2 LEU A 19 7.807 -6.899 0.876 1.00 22.54 H new ATOM 0 HB3 LEU A 19 9.414 -6.437 1.402 1.00 22.54 H new ATOM 0 HG LEU A 19 7.847 -5.253 -0.891 1.00 74.12 H new ATOM 0 HD11 LEU A 19 7.928 -3.185 0.579 1.00 54.23 H new ATOM 0 HD12 LEU A 19 7.127 -4.543 1.407 1.00 54.23 H new ATOM 0 HD13 LEU A 19 8.810 -4.124 1.807 1.00 54.23 H new ATOM 0 HD21 LEU A 19 9.635 -3.556 -1.095 1.00 43.01 H new ATOM 0 HD22 LEU A 19 10.608 -4.452 0.096 1.00 43.01 H new ATOM 0 HD23 LEU A 19 10.219 -5.194 -1.474 1.00 43.01 H new ATOM 306 N ARG A 20 11.028 -9.082 0.610 1.00 45.33 N ATOM 307 CA ARG A 20 11.538 -10.225 1.361 1.00 70.51 C ATOM 308 C ARG A 20 11.765 -9.823 2.811 1.00 12.31 C ATOM 309 O ARG A 20 12.844 -9.344 3.168 1.00 73.12 O ATOM 310 CB ARG A 20 12.787 -10.813 0.678 1.00 63.11 C ATOM 311 CG ARG A 20 13.645 -11.652 1.641 1.00 10.11 C ATOM 312 CD ARG A 20 14.410 -12.781 0.965 1.00 64.50 C ATOM 313 NE ARG A 20 13.459 -13.843 0.625 1.00 2.13 N ATOM 314 CZ ARG A 20 13.759 -15.110 0.331 1.00 63.21 C ATOM 315 NH1 ARG A 20 15.024 -15.522 0.295 1.00 51.03 N ATOM 316 NH2 ARG A 20 12.798 -15.974 0.050 1.00 63.51 N ATOM 0 H ARG A 20 11.766 -8.464 0.274 1.00 45.33 H new ATOM 0 HA ARG A 20 10.801 -11.028 1.367 1.00 70.51 H new ATOM 0 HB2 ARG A 20 12.479 -11.434 -0.163 1.00 63.11 H new ATOM 0 HB3 ARG A 20 13.391 -10.002 0.271 1.00 63.11 H new ATOM 0 HG2 ARG A 20 14.355 -10.996 2.144 1.00 10.11 H new ATOM 0 HG3 ARG A 20 13.000 -12.074 2.412 1.00 10.11 H new ATOM 0 HD2 ARG A 20 14.909 -12.417 0.067 1.00 64.50 H new ATOM 0 HD3 ARG A 20 15.186 -13.164 1.628 1.00 64.50 H new ATOM 0 HE ARG A 20 12.471 -13.589 0.612 1.00 2.13 H new ATOM 0 HH11 ARG A 20 15.780 -14.866 0.494 1.00 51.03 H new ATOM 0 HH12 ARG A 20 15.238 -16.493 0.069 1.00 51.03 H new ATOM 0 HH21 ARG A 20 11.823 -15.673 0.057 1.00 63.51 H new ATOM 0 HH22 ARG A 20 13.031 -16.941 -0.174 1.00 63.51 H new ATOM 330 N TYR A 21 10.733 -9.905 3.635 1.00 11.24 N ATOM 331 CA TYR A 21 10.821 -9.609 5.053 1.00 23.53 C ATOM 332 C TYR A 21 11.603 -10.733 5.737 1.00 42.01 C ATOM 333 O TYR A 21 11.030 -11.688 6.250 1.00 31.41 O ATOM 334 CB TYR A 21 9.430 -9.426 5.655 1.00 1.15 C ATOM 335 CG TYR A 21 9.470 -8.897 7.075 1.00 54.24 C ATOM 336 CD1 TYR A 21 9.693 -7.529 7.318 1.00 3.01 C ATOM 337 CD2 TYR A 21 9.298 -9.774 8.159 1.00 4.01 C ATOM 338 CE1 TYR A 21 9.747 -7.036 8.630 1.00 41.23 C ATOM 339 CE2 TYR A 21 9.318 -9.284 9.474 1.00 44.12 C ATOM 340 CZ TYR A 21 9.535 -7.905 9.718 1.00 71.42 C ATOM 341 OH TYR A 21 9.499 -7.402 10.985 1.00 61.51 O ATOM 0 H TYR A 21 9.799 -10.183 3.332 1.00 11.24 H new ATOM 0 HA TYR A 21 11.350 -8.669 5.209 1.00 23.53 H new ATOM 0 HB2 TYR A 21 8.857 -8.739 5.032 1.00 1.15 H new ATOM 0 HB3 TYR A 21 8.905 -10.381 5.643 1.00 1.15 H new ATOM 0 HD1 TYR A 21 9.824 -6.852 6.486 1.00 3.01 H new ATOM 0 HD2 TYR A 21 9.150 -10.829 7.980 1.00 4.01 H new ATOM 0 HE1 TYR A 21 9.951 -5.990 8.806 1.00 41.23 H new ATOM 0 HE2 TYR A 21 9.168 -9.960 10.303 1.00 44.12 H new ATOM 0 HH TYR A 21 9.343 -8.130 11.622 1.00 61.51 H new ATOM 351 N GLY A 22 12.928 -10.637 5.708 1.00 44.30 N ATOM 352 CA GLY A 22 13.804 -11.586 6.366 1.00 53.21 C ATOM 353 C GLY A 22 14.130 -12.674 5.362 1.00 64.51 C ATOM 354 O GLY A 22 14.788 -12.382 4.364 1.00 22.35 O ATOM 0 H GLY A 22 13.424 -9.890 5.221 1.00 44.30 H new ATOM 0 HA2 GLY A 22 14.715 -11.094 6.708 1.00 53.21 H new ATOM 0 HA3 GLY A 22 13.320 -12.009 7.246 1.00 53.21 H new ATOM 358 N GLU A 23 13.666 -13.900 5.564 1.00 63.20 N ATOM 359 CA GLU A 23 13.988 -15.027 4.684 1.00 14.15 C ATOM 360 C GLU A 23 12.767 -15.566 3.946 1.00 33.52 C ATOM 361 O GLU A 23 12.874 -16.554 3.219 1.00 61.53 O ATOM 362 CB GLU A 23 14.741 -16.096 5.481 1.00 2.01 C ATOM 363 CG GLU A 23 16.164 -15.627 5.787 1.00 41.40 C ATOM 364 CD GLU A 23 17.107 -16.816 5.873 1.00 61.52 C ATOM 365 OE1 GLU A 23 17.447 -17.353 4.790 1.00 5.11 O ATOM 366 OE2 GLU A 23 17.499 -17.176 7.007 1.00 23.32 O ATOM 0 H GLU A 23 13.055 -14.146 6.342 1.00 63.20 H new ATOM 0 HA GLU A 23 14.647 -14.675 3.890 1.00 14.15 H new ATOM 0 HB2 GLU A 23 14.212 -16.306 6.411 1.00 2.01 H new ATOM 0 HB3 GLU A 23 14.772 -17.027 4.915 1.00 2.01 H new ATOM 0 HG2 GLU A 23 16.503 -14.942 5.010 1.00 41.40 H new ATOM 0 HG3 GLU A 23 16.178 -15.075 6.727 1.00 41.40 H new ATOM 373 N ASP A 24 11.631 -14.886 4.071 1.00 45.23 N ATOM 374 CA ASP A 24 10.390 -15.216 3.379 1.00 5.11 C ATOM 375 C ASP A 24 10.154 -14.167 2.292 1.00 44.42 C ATOM 376 O ASP A 24 10.834 -13.138 2.258 1.00 23.11 O ATOM 377 CB ASP A 24 9.240 -15.273 4.393 1.00 42.20 C ATOM 378 CG ASP A 24 9.154 -16.627 5.107 1.00 45.32 C ATOM 379 OD1 ASP A 24 10.183 -17.153 5.601 1.00 13.14 O ATOM 380 OD2 ASP A 24 8.037 -17.189 5.135 1.00 12.22 O ATOM 0 H ASP A 24 11.546 -14.067 4.673 1.00 45.23 H new ATOM 0 HA ASP A 24 10.449 -16.195 2.904 1.00 5.11 H new ATOM 0 HB2 ASP A 24 9.373 -14.483 5.133 1.00 42.20 H new ATOM 0 HB3 ASP A 24 8.298 -15.075 3.881 1.00 42.20 H new ATOM 385 N SER A 25 9.227 -14.405 1.368 1.00 33.45 N ATOM 386 CA SER A 25 9.011 -13.590 0.184 1.00 74.43 C ATOM 387 C SER A 25 7.527 -13.268 0.078 1.00 72.10 C ATOM 388 O SER A 25 6.719 -14.170 -0.128 1.00 45.02 O ATOM 389 CB SER A 25 9.500 -14.335 -1.065 1.00 13.33 C ATOM 390 OG SER A 25 10.104 -15.591 -0.781 1.00 1.24 O ATOM 0 H SER A 25 8.587 -15.197 1.428 1.00 33.45 H new ATOM 0 HA SER A 25 9.576 -12.661 0.261 1.00 74.43 H new ATOM 0 HB2 SER A 25 8.657 -14.491 -1.738 1.00 13.33 H new ATOM 0 HB3 SER A 25 10.218 -13.708 -1.594 1.00 13.33 H new ATOM 0 HG SER A 25 10.391 -16.013 -1.618 1.00 1.24 H new ATOM 396 N TYR A 26 7.163 -12.003 0.254 1.00 4.05 N ATOM 397 CA TYR A 26 5.785 -11.534 0.199 1.00 21.25 C ATOM 398 C TYR A 26 5.608 -10.730 -1.087 1.00 73.33 C ATOM 399 O TYR A 26 6.551 -10.063 -1.522 1.00 64.52 O ATOM 400 CB TYR A 26 5.499 -10.665 1.435 1.00 73.11 C ATOM 401 CG TYR A 26 5.873 -11.235 2.798 1.00 41.43 C ATOM 402 CD1 TYR A 26 5.936 -12.622 3.044 1.00 33.43 C ATOM 403 CD2 TYR A 26 6.131 -10.346 3.856 1.00 3.24 C ATOM 404 CE1 TYR A 26 6.300 -13.106 4.316 1.00 45.31 C ATOM 405 CE2 TYR A 26 6.469 -10.824 5.126 1.00 10.02 C ATOM 406 CZ TYR A 26 6.590 -12.205 5.362 1.00 1.43 C ATOM 407 OH TYR A 26 7.021 -12.629 6.577 1.00 51.00 O ATOM 0 H TYR A 26 7.834 -11.258 0.443 1.00 4.05 H new ATOM 0 HA TYR A 26 5.085 -12.370 0.200 1.00 21.25 H new ATOM 0 HB2 TYR A 26 6.026 -9.719 1.310 1.00 73.11 H new ATOM 0 HB3 TYR A 26 4.433 -10.437 1.447 1.00 73.11 H new ATOM 0 HD1 TYR A 26 5.704 -13.318 2.252 1.00 33.43 H new ATOM 0 HD2 TYR A 26 6.067 -9.281 3.686 1.00 3.24 H new ATOM 0 HE1 TYR A 26 6.357 -14.170 4.491 1.00 45.31 H new ATOM 0 HE2 TYR A 26 6.639 -10.126 5.933 1.00 10.02 H new ATOM 0 HH TYR A 26 7.167 -11.855 7.161 1.00 51.00 H new ATOM 417 N ASP A 27 4.409 -10.744 -1.672 1.00 70.20 N ATOM 418 CA ASP A 27 4.084 -10.049 -2.920 1.00 23.42 C ATOM 419 C ASP A 27 2.772 -9.300 -2.726 1.00 70.11 C ATOM 420 O ASP A 27 1.677 -9.837 -2.895 1.00 3.44 O ATOM 421 CB ASP A 27 4.199 -10.955 -4.170 1.00 42.00 C ATOM 422 CG ASP A 27 2.983 -11.791 -4.604 1.00 1.45 C ATOM 423 OD1 ASP A 27 2.520 -12.648 -3.820 1.00 42.40 O ATOM 424 OD2 ASP A 27 2.602 -11.731 -5.804 1.00 1.41 O ATOM 0 H ASP A 27 3.616 -11.252 -1.281 1.00 70.20 H new ATOM 0 HA ASP A 27 4.836 -9.294 -3.149 1.00 23.42 H new ATOM 0 HB2 ASP A 27 4.478 -10.320 -5.011 1.00 42.00 H new ATOM 0 HB3 ASP A 27 5.027 -11.643 -4.002 1.00 42.00 H new ATOM 429 N LEU A 28 2.886 -8.068 -2.221 1.00 52.30 N ATOM 430 CA LEU A 28 1.727 -7.277 -1.834 1.00 61.52 C ATOM 431 C LEU A 28 1.162 -6.570 -3.072 1.00 24.33 C ATOM 432 O LEU A 28 1.941 -6.065 -3.887 1.00 63.54 O ATOM 433 CB LEU A 28 2.114 -6.204 -0.807 1.00 1.43 C ATOM 434 CG LEU A 28 3.230 -6.540 0.199 1.00 50.14 C ATOM 435 CD1 LEU A 28 3.232 -5.437 1.247 1.00 12.13 C ATOM 436 CD2 LEU A 28 3.158 -7.879 0.946 1.00 64.51 C ATOM 0 H LEU A 28 3.779 -7.599 -2.072 1.00 52.30 H new ATOM 0 HA LEU A 28 0.988 -7.947 -1.395 1.00 61.52 H new ATOM 0 HB2 LEU A 28 2.415 -5.310 -1.354 1.00 1.43 H new ATOM 0 HB3 LEU A 28 1.220 -5.945 -0.240 1.00 1.43 H new ATOM 0 HG LEU A 28 4.130 -6.623 -0.411 1.00 50.14 H new ATOM 0 HD11 LEU A 28 4.011 -5.636 1.983 1.00 12.13 H new ATOM 0 HD12 LEU A 28 3.424 -4.478 0.766 1.00 12.13 H new ATOM 0 HD13 LEU A 28 2.263 -5.406 1.744 1.00 12.13 H new ATOM 0 HD21 LEU A 28 4.013 -7.968 1.616 1.00 64.51 H new ATOM 0 HD22 LEU A 28 2.236 -7.923 1.526 1.00 64.51 H new ATOM 0 HD23 LEU A 28 3.174 -8.698 0.227 1.00 64.51 H new ATOM 448 N PRO A 29 -0.163 -6.413 -3.191 1.00 32.12 N ATOM 449 CA PRO A 29 -0.753 -5.713 -4.320 1.00 72.30 C ATOM 450 C PRO A 29 -0.528 -4.208 -4.193 1.00 71.41 C ATOM 451 O PRO A 29 -0.479 -3.667 -3.086 1.00 25.34 O ATOM 452 CB PRO A 29 -2.245 -6.052 -4.264 1.00 42.01 C ATOM 453 CG PRO A 29 -2.505 -6.320 -2.787 1.00 10.23 C ATOM 454 CD PRO A 29 -1.183 -6.895 -2.277 1.00 24.15 C ATOM 0 HA PRO A 29 -0.307 -6.012 -5.269 1.00 72.30 H new ATOM 0 HB2 PRO A 29 -2.856 -5.229 -4.634 1.00 42.01 H new ATOM 0 HB3 PRO A 29 -2.480 -6.923 -4.875 1.00 42.01 H new ATOM 0 HG2 PRO A 29 -2.774 -5.406 -2.257 1.00 10.23 H new ATOM 0 HG3 PRO A 29 -3.326 -7.023 -2.647 1.00 10.23 H new ATOM 0 HD2 PRO A 29 -0.981 -6.567 -1.257 1.00 24.15 H new ATOM 0 HD3 PRO A 29 -1.211 -7.985 -2.261 1.00 24.15 H new ATOM 462 N ALA A 30 -0.492 -3.515 -5.330 1.00 72.34 N ATOM 463 CA ALA A 30 -0.417 -2.064 -5.413 1.00 23.32 C ATOM 464 C ALA A 30 -1.484 -1.404 -4.542 1.00 11.05 C ATOM 465 O ALA A 30 -1.184 -0.454 -3.812 1.00 41.22 O ATOM 466 CB ALA A 30 -0.573 -1.630 -6.873 1.00 1.04 C ATOM 0 H ALA A 30 -0.515 -3.965 -6.245 1.00 72.34 H new ATOM 0 HA ALA A 30 0.556 -1.743 -5.041 1.00 23.32 H new ATOM 0 HB1 ALA A 30 -0.517 -0.543 -6.938 1.00 1.04 H new ATOM 0 HB2 ALA A 30 0.225 -2.070 -7.471 1.00 1.04 H new ATOM 0 HB3 ALA A 30 -1.538 -1.967 -7.252 1.00 1.04 H new ATOM 472 N GLU A 31 -2.728 -1.896 -4.589 1.00 65.22 N ATOM 473 CA GLU A 31 -3.793 -1.235 -3.852 1.00 32.21 C ATOM 474 C GLU A 31 -3.610 -1.354 -2.333 1.00 30.25 C ATOM 475 O GLU A 31 -4.081 -0.481 -1.601 1.00 24.54 O ATOM 476 CB GLU A 31 -5.189 -1.768 -4.239 1.00 24.52 C ATOM 477 CG GLU A 31 -5.613 -3.133 -3.643 1.00 21.24 C ATOM 478 CD GLU A 31 -7.122 -3.390 -3.770 1.00 12.43 C ATOM 479 OE1 GLU A 31 -7.897 -2.429 -3.542 1.00 65.14 O ATOM 480 OE2 GLU A 31 -7.521 -4.559 -3.984 1.00 21.55 O ATOM 0 H GLU A 31 -3.009 -2.724 -5.114 1.00 65.22 H new ATOM 0 HA GLU A 31 -3.730 -0.183 -4.130 1.00 32.21 H new ATOM 0 HB2 GLU A 31 -5.929 -1.025 -3.942 1.00 24.52 H new ATOM 0 HB3 GLU A 31 -5.232 -1.845 -5.325 1.00 24.52 H new ATOM 0 HG2 GLU A 31 -5.069 -3.931 -4.148 1.00 21.24 H new ATOM 0 HG3 GLU A 31 -5.329 -3.170 -2.591 1.00 21.24 H new ATOM 487 N PHE A 32 -2.941 -2.405 -1.833 1.00 62.30 N ATOM 488 CA PHE A 32 -2.691 -2.516 -0.395 1.00 70.54 C ATOM 489 C PHE A 32 -1.820 -1.352 0.066 1.00 60.44 C ATOM 490 O PHE A 32 -1.996 -0.836 1.168 1.00 63.10 O ATOM 491 CB PHE A 32 -2.017 -3.849 -0.052 1.00 53.02 C ATOM 492 CG PHE A 32 -1.455 -3.919 1.352 1.00 53.34 C ATOM 493 CD1 PHE A 32 -2.307 -4.026 2.467 1.00 15.15 C ATOM 494 CD2 PHE A 32 -0.064 -3.842 1.542 1.00 43.21 C ATOM 495 CE1 PHE A 32 -1.766 -4.087 3.760 1.00 72.34 C ATOM 496 CE2 PHE A 32 0.472 -3.884 2.837 1.00 1.34 C ATOM 497 CZ PHE A 32 -0.377 -4.011 3.948 1.00 42.43 C ATOM 0 H PHE A 32 -2.572 -3.173 -2.393 1.00 62.30 H new ATOM 0 HA PHE A 32 -3.648 -2.481 0.125 1.00 70.54 H new ATOM 0 HB2 PHE A 32 -2.741 -4.653 -0.181 1.00 53.02 H new ATOM 0 HB3 PHE A 32 -1.211 -4.029 -0.763 1.00 53.02 H new ATOM 0 HD1 PHE A 32 -3.377 -4.061 2.327 1.00 15.15 H new ATOM 0 HD2 PHE A 32 0.592 -3.750 0.689 1.00 43.21 H new ATOM 0 HE1 PHE A 32 -2.420 -4.193 4.613 1.00 72.34 H new ATOM 0 HE2 PHE A 32 1.540 -3.819 2.980 1.00 1.34 H new ATOM 0 HZ PHE A 32 0.037 -4.050 4.945 1.00 42.43 H new ATOM 507 N LEU A 33 -0.888 -0.921 -0.780 1.00 44.24 N ATOM 508 CA LEU A 33 -0.007 0.174 -0.440 1.00 41.43 C ATOM 509 C LEU A 33 -0.716 1.518 -0.574 1.00 42.14 C ATOM 510 O LEU A 33 -0.476 2.376 0.278 1.00 32.42 O ATOM 511 CB LEU A 33 1.271 0.092 -1.277 1.00 3.43 C ATOM 512 CG LEU A 33 2.167 -1.061 -0.776 1.00 1.02 C ATOM 513 CD1 LEU A 33 2.463 -2.052 -1.900 1.00 23.34 C ATOM 514 CD2 LEU A 33 3.461 -0.516 -0.174 1.00 74.20 C ATOM 0 H LEU A 33 -0.729 -1.319 -1.706 1.00 44.24 H new ATOM 0 HA LEU A 33 0.281 0.089 0.608 1.00 41.43 H new ATOM 0 HB2 LEU A 33 1.018 -0.065 -2.326 1.00 3.43 H new ATOM 0 HB3 LEU A 33 1.814 1.035 -1.218 1.00 3.43 H new ATOM 0 HG LEU A 33 1.627 -1.595 0.006 1.00 1.02 H new ATOM 0 HD11 LEU A 33 3.096 -2.854 -1.520 1.00 23.34 H new ATOM 0 HD12 LEU A 33 1.528 -2.472 -2.270 1.00 23.34 H new ATOM 0 HD13 LEU A 33 2.977 -1.538 -2.712 1.00 23.34 H new ATOM 0 HD21 LEU A 33 4.078 -1.345 0.173 1.00 74.20 H new ATOM 0 HD22 LEU A 33 4.005 0.049 -0.931 1.00 74.20 H new ATOM 0 HD23 LEU A 33 3.225 0.137 0.666 1.00 74.20 H new ATOM 526 N ARG A 34 -1.594 1.734 -1.578 1.00 24.33 N ATOM 527 CA ARG A 34 -1.992 3.124 -1.869 1.00 52.24 C ATOM 528 C ARG A 34 -2.803 3.729 -0.694 1.00 53.43 C ATOM 529 O ARG A 34 -2.968 4.945 -0.603 1.00 72.13 O ATOM 530 CB ARG A 34 -2.683 3.304 -3.242 1.00 44.34 C ATOM 531 CG ARG A 34 -4.201 3.418 -3.314 1.00 55.03 C ATOM 532 CD ARG A 34 -4.774 2.170 -2.767 1.00 44.35 C ATOM 533 NE ARG A 34 -6.226 2.021 -2.979 1.00 35.20 N ATOM 534 CZ ARG A 34 -7.232 2.871 -2.719 1.00 12.34 C ATOM 535 NH1 ARG A 34 -7.094 4.184 -2.544 1.00 55.42 N ATOM 536 NH2 ARG A 34 -8.454 2.379 -2.620 1.00 61.41 N ATOM 0 H ARG A 34 -2.016 1.015 -2.165 1.00 24.33 H new ATOM 0 HA ARG A 34 -1.070 3.699 -1.958 1.00 52.24 H new ATOM 0 HB2 ARG A 34 -2.267 4.201 -3.701 1.00 44.34 H new ATOM 0 HB3 ARG A 34 -2.390 2.461 -3.867 1.00 44.34 H new ATOM 0 HG2 ARG A 34 -4.547 4.280 -2.743 1.00 55.03 H new ATOM 0 HG3 ARG A 34 -4.524 3.568 -4.344 1.00 55.03 H new ATOM 0 HD2 ARG A 34 -4.264 1.321 -3.222 1.00 44.35 H new ATOM 0 HD3 ARG A 34 -4.569 2.129 -1.697 1.00 44.35 H new ATOM 0 HE ARG A 34 -6.511 1.131 -3.388 1.00 35.20 H new ATOM 0 HH11 ARG A 34 -6.170 4.612 -2.605 1.00 55.42 H new ATOM 0 HH12 ARG A 34 -7.912 4.761 -2.349 1.00 55.42 H new ATOM 0 HH21 ARG A 34 -8.612 1.379 -2.740 1.00 61.41 H new ATOM 0 HH22 ARG A 34 -9.239 3.000 -2.423 1.00 61.41 H new ATOM 550 N VAL A 35 -3.363 2.873 0.168 1.00 3.24 N ATOM 551 CA VAL A 35 -4.235 3.223 1.284 1.00 32.10 C ATOM 552 C VAL A 35 -3.378 3.710 2.457 1.00 60.12 C ATOM 553 O VAL A 35 -3.506 4.875 2.827 1.00 14.32 O ATOM 554 CB VAL A 35 -5.256 2.103 1.576 1.00 55.04 C ATOM 555 CG1 VAL A 35 -6.146 1.911 0.328 1.00 23.50 C ATOM 556 CG2 VAL A 35 -4.667 0.735 1.927 1.00 40.04 C ATOM 0 H VAL A 35 -3.209 1.867 0.098 1.00 3.24 H new ATOM 0 HA VAL A 35 -4.880 4.066 1.037 1.00 32.10 H new ATOM 0 HB VAL A 35 -5.798 2.440 2.460 1.00 55.04 H new ATOM 0 HG11 VAL A 35 -6.874 1.122 0.518 1.00 23.50 H new ATOM 0 HG12 VAL A 35 -6.669 2.842 0.107 1.00 23.50 H new ATOM 0 HG13 VAL A 35 -5.524 1.634 -0.523 1.00 23.50 H new ATOM 0 HG21 VAL A 35 -5.475 0.027 2.112 1.00 40.04 H new ATOM 0 HG22 VAL A 35 -4.055 0.379 1.098 1.00 40.04 H new ATOM 0 HG23 VAL A 35 -4.050 0.823 2.821 1.00 40.04 H new ATOM 566 N HIS A 36 -2.435 2.901 2.963 1.00 2.01 N ATOM 567 CA HIS A 36 -1.513 3.285 4.040 1.00 14.40 C ATOM 568 C HIS A 36 -0.378 4.164 3.495 1.00 32.22 C ATOM 569 O HIS A 36 0.799 3.856 3.679 1.00 1.14 O ATOM 570 CB HIS A 36 -1.025 2.042 4.827 1.00 63.53 C ATOM 571 CG HIS A 36 -1.183 2.133 6.332 1.00 4.40 C ATOM 572 ND1 HIS A 36 -1.440 3.264 7.084 1.00 33.44 N ATOM 573 CD2 HIS A 36 -1.218 1.064 7.188 1.00 60.14 C ATOM 574 CE1 HIS A 36 -1.635 2.879 8.354 1.00 11.43 C ATOM 575 NE2 HIS A 36 -1.496 1.546 8.469 1.00 74.23 N ATOM 0 H HIS A 36 -2.290 1.948 2.630 1.00 2.01 H new ATOM 0 HA HIS A 36 -2.046 3.899 4.766 1.00 14.40 H new ATOM 0 HB2 HIS A 36 -1.571 1.168 4.472 1.00 63.53 H new ATOM 0 HB3 HIS A 36 0.027 1.875 4.597 1.00 63.53 H new ATOM 0 HD2 HIS A 36 -1.059 0.030 6.919 1.00 60.14 H new ATOM 0 HE1 HIS A 36 -1.871 3.546 9.170 1.00 11.43 H new ATOM 0 HE2 HIS A 36 -1.578 0.995 9.324 1.00 74.23 H new ATOM 583 N SER A 37 -0.720 5.234 2.782 1.00 74.15 N ATOM 584 CA SER A 37 0.162 6.111 2.028 1.00 0.44 C ATOM 585 C SER A 37 0.162 7.482 2.734 1.00 4.24 C ATOM 586 O SER A 37 -0.717 8.303 2.462 1.00 35.22 O ATOM 587 CB SER A 37 -0.304 6.130 0.562 1.00 0.34 C ATOM 588 OG SER A 37 0.657 6.731 -0.279 1.00 63.33 O ATOM 0 H SER A 37 -1.694 5.530 2.713 1.00 74.15 H new ATOM 0 HA SER A 37 1.197 5.771 2.002 1.00 0.44 H new ATOM 0 HB2 SER A 37 -0.495 5.111 0.227 1.00 0.34 H new ATOM 0 HB3 SER A 37 -1.246 6.673 0.486 1.00 0.34 H new ATOM 0 HG SER A 37 1.488 6.212 -0.250 1.00 63.33 H new ATOM 594 N PRO A 38 1.013 7.697 3.755 1.00 72.15 N ATOM 595 CA PRO A 38 1.069 8.928 4.539 1.00 61.14 C ATOM 596 C PRO A 38 1.732 10.037 3.717 1.00 1.30 C ATOM 597 O PRO A 38 2.955 10.056 3.583 1.00 72.51 O ATOM 598 CB PRO A 38 1.874 8.557 5.791 1.00 75.54 C ATOM 599 CG PRO A 38 2.842 7.485 5.290 1.00 73.31 C ATOM 600 CD PRO A 38 2.023 6.760 4.223 1.00 42.01 C ATOM 0 HA PRO A 38 0.087 9.313 4.814 1.00 61.14 H new ATOM 0 HB2 PRO A 38 2.404 9.418 6.197 1.00 75.54 H new ATOM 0 HB3 PRO A 38 1.230 8.177 6.584 1.00 75.54 H new ATOM 0 HG2 PRO A 38 3.750 7.922 4.875 1.00 73.31 H new ATOM 0 HG3 PRO A 38 3.149 6.812 6.090 1.00 73.31 H new ATOM 0 HD2 PRO A 38 2.661 6.437 3.400 1.00 42.01 H new ATOM 0 HD3 PRO A 38 1.557 5.865 4.636 1.00 42.01 H new ATOM 608 N SER A 39 0.961 10.938 3.112 1.00 60.14 N ATOM 609 CA SER A 39 1.524 12.010 2.306 1.00 33.52 C ATOM 610 C SER A 39 2.456 12.874 3.169 1.00 75.41 C ATOM 611 O SER A 39 2.045 13.381 4.214 1.00 11.11 O ATOM 612 CB SER A 39 0.386 12.847 1.724 1.00 75.25 C ATOM 613 OG SER A 39 -0.615 12.063 1.094 1.00 61.24 O ATOM 0 H SER A 39 -0.057 10.944 3.167 1.00 60.14 H new ATOM 0 HA SER A 39 2.110 11.594 1.486 1.00 33.52 H new ATOM 0 HB2 SER A 39 -0.069 13.435 2.521 1.00 75.25 H new ATOM 0 HB3 SER A 39 0.795 13.553 1.001 1.00 75.25 H new ATOM 0 HG SER A 39 -1.317 12.650 0.742 1.00 61.24 H new ATOM 736 N VAL A 49 -7.853 9.816 7.449 1.00 60.41 N ATOM 737 CA VAL A 49 -7.795 9.960 6.006 1.00 72.35 C ATOM 738 C VAL A 49 -8.241 8.611 5.478 1.00 63.15 C ATOM 739 O VAL A 49 -7.772 7.578 5.962 1.00 73.53 O ATOM 740 CB VAL A 49 -6.383 10.350 5.505 1.00 14.40 C ATOM 741 CG1 VAL A 49 -6.456 10.878 4.065 1.00 14.01 C ATOM 742 CG2 VAL A 49 -5.676 11.411 6.362 1.00 52.43 C ATOM 0 HA VAL A 49 -8.431 10.771 5.651 1.00 72.35 H new ATOM 0 HB VAL A 49 -5.798 9.433 5.571 1.00 14.40 H new ATOM 0 HG11 VAL A 49 -5.456 11.148 3.726 1.00 14.01 H new ATOM 0 HG12 VAL A 49 -6.863 10.104 3.414 1.00 14.01 H new ATOM 0 HG13 VAL A 49 -7.100 11.756 4.032 1.00 14.01 H new ATOM 0 HG21 VAL A 49 -4.694 11.625 5.940 1.00 52.43 H new ATOM 0 HG22 VAL A 49 -6.272 12.324 6.375 1.00 52.43 H new ATOM 0 HG23 VAL A 49 -5.560 11.038 7.380 1.00 52.43 H new ATOM 752 N LEU A 50 -9.149 8.617 4.506 1.00 60.32 N ATOM 753 CA LEU A 50 -9.759 7.435 3.948 1.00 31.14 C ATOM 754 C LEU A 50 -9.391 7.350 2.475 1.00 71.52 C ATOM 755 O LEU A 50 -9.191 8.379 1.818 1.00 22.11 O ATOM 756 CB LEU A 50 -11.280 7.558 4.134 1.00 64.42 C ATOM 757 CG LEU A 50 -11.962 6.247 4.529 1.00 4.40 C ATOM 758 CD1 LEU A 50 -11.620 5.072 3.623 1.00 34.22 C ATOM 759 CD2 LEU A 50 -11.637 5.870 5.970 1.00 60.32 C ATOM 0 H LEU A 50 -9.485 9.479 4.077 1.00 60.32 H new ATOM 0 HA LEU A 50 -9.410 6.529 4.443 1.00 31.14 H new ATOM 0 HB2 LEU A 50 -11.484 8.307 4.899 1.00 64.42 H new ATOM 0 HB3 LEU A 50 -11.722 7.921 3.206 1.00 64.42 H new ATOM 0 HG LEU A 50 -13.029 6.442 4.418 1.00 4.40 H new ATOM 0 HD11 LEU A 50 -12.143 4.181 3.970 1.00 34.22 H new ATOM 0 HD12 LEU A 50 -11.927 5.298 2.602 1.00 34.22 H new ATOM 0 HD13 LEU A 50 -10.545 4.894 3.648 1.00 34.22 H new ATOM 0 HD21 LEU A 50 -12.135 4.934 6.223 1.00 60.32 H new ATOM 0 HD22 LEU A 50 -10.559 5.748 6.080 1.00 60.32 H new ATOM 0 HD23 LEU A 50 -11.983 6.658 6.639 1.00 60.32 H new ATOM 771 N GLN A 51 -9.304 6.131 1.945 1.00 22.32 N ATOM 772 CA GLN A 51 -8.784 5.856 0.619 1.00 42.33 C ATOM 773 C GLN A 51 -9.723 4.914 -0.129 1.00 41.31 C ATOM 774 O GLN A 51 -9.410 3.761 -0.424 1.00 41.45 O ATOM 775 CB GLN A 51 -7.344 5.327 0.662 1.00 2.23 C ATOM 776 CG GLN A 51 -6.470 6.041 1.689 1.00 14.12 C ATOM 777 CD GLN A 51 -6.730 5.529 3.101 1.00 13.20 C ATOM 778 OE1 GLN A 51 -7.454 4.563 3.336 1.00 12.02 O ATOM 779 NE2 GLN A 51 -6.269 6.293 4.051 1.00 44.15 N ATOM 0 H GLN A 51 -9.602 5.292 2.442 1.00 22.32 H new ATOM 0 HA GLN A 51 -8.741 6.796 0.069 1.00 42.33 H new ATOM 0 HB2 GLN A 51 -7.362 4.261 0.889 1.00 2.23 H new ATOM 0 HB3 GLN A 51 -6.895 5.435 -0.325 1.00 2.23 H new ATOM 0 HG2 GLN A 51 -5.419 5.896 1.437 1.00 14.12 H new ATOM 0 HG3 GLN A 51 -6.663 7.113 1.649 1.00 14.12 H new ATOM 0 HE21 GLN A 51 -5.671 7.087 3.822 1.00 44.15 H new ATOM 0 HE22 GLN A 51 -6.507 6.097 5.023 1.00 44.15 H new ATOM 788 N TYR A 52 -10.904 5.412 -0.456 1.00 23.43 N ATOM 789 CA TYR A 52 -11.849 4.724 -1.314 1.00 53.13 C ATOM 790 C TYR A 52 -11.438 4.889 -2.783 1.00 20.50 C ATOM 791 O TYR A 52 -10.283 5.206 -3.090 1.00 0.24 O ATOM 792 CB TYR A 52 -13.256 5.243 -1.004 1.00 2.30 C ATOM 793 CG TYR A 52 -13.435 6.737 -0.942 1.00 14.14 C ATOM 794 CD1 TYR A 52 -13.059 7.475 0.198 1.00 53.35 C ATOM 795 CD2 TYR A 52 -14.109 7.359 -2.002 1.00 12.04 C ATOM 796 CE1 TYR A 52 -13.437 8.824 0.303 1.00 43.44 C ATOM 797 CE2 TYR A 52 -14.484 8.699 -1.901 1.00 1.00 C ATOM 798 CZ TYR A 52 -14.162 9.439 -0.742 1.00 23.21 C ATOM 799 OH TYR A 52 -14.567 10.729 -0.620 1.00 75.54 O ATOM 0 H TYR A 52 -11.236 6.319 -0.127 1.00 23.43 H new ATOM 0 HA TYR A 52 -11.850 3.651 -1.124 1.00 53.13 H new ATOM 0 HB2 TYR A 52 -13.936 4.851 -1.761 1.00 2.30 H new ATOM 0 HB3 TYR A 52 -13.568 4.824 -0.047 1.00 2.30 H new ATOM 0 HD1 TYR A 52 -12.485 7.008 0.984 1.00 53.35 H new ATOM 0 HD2 TYR A 52 -14.338 6.801 -2.898 1.00 12.04 H new ATOM 0 HE1 TYR A 52 -13.173 9.391 1.183 1.00 43.44 H new ATOM 0 HE2 TYR A 52 -15.021 9.171 -2.710 1.00 1.00 H new ATOM 0 HH TYR A 52 -15.052 10.997 -1.428 1.00 75.54 H new ATOM 809 N GLY A 53 -12.381 4.579 -3.667 1.00 0.02 N ATOM 810 CA GLY A 53 -12.464 4.914 -5.082 1.00 22.11 C ATOM 811 C GLY A 53 -11.359 4.350 -5.966 1.00 11.11 C ATOM 812 O GLY A 53 -11.210 4.811 -7.094 1.00 13.31 O ATOM 0 H GLY A 53 -13.190 4.029 -3.378 1.00 0.02 H new ATOM 0 HA2 GLY A 53 -13.423 4.562 -5.463 1.00 22.11 H new ATOM 0 HA3 GLY A 53 -12.462 6.000 -5.179 1.00 22.11 H new ATOM 816 N LYS A 54 -10.541 3.408 -5.494 1.00 43.45 N ATOM 817 CA LYS A 54 -9.414 2.875 -6.252 1.00 14.40 C ATOM 818 C LYS A 54 -9.293 1.366 -6.009 1.00 70.15 C ATOM 819 O LYS A 54 -8.344 0.916 -5.372 1.00 1.42 O ATOM 820 CB LYS A 54 -8.144 3.669 -5.886 1.00 75.32 C ATOM 821 CG LYS A 54 -7.979 5.014 -6.603 1.00 24.43 C ATOM 822 CD LYS A 54 -8.529 6.245 -5.859 1.00 40.35 C ATOM 823 CE LYS A 54 -7.631 6.742 -4.717 1.00 42.44 C ATOM 824 NZ LYS A 54 -7.028 8.050 -5.032 1.00 32.33 N ATOM 0 H LYS A 54 -10.645 2.992 -4.568 1.00 43.45 H new ATOM 0 HA LYS A 54 -9.567 2.997 -7.324 1.00 14.40 H new ATOM 0 HB2 LYS A 54 -8.145 3.848 -4.811 1.00 75.32 H new ATOM 0 HB3 LYS A 54 -7.274 3.051 -6.105 1.00 75.32 H new ATOM 0 HG2 LYS A 54 -6.918 5.174 -6.795 1.00 24.43 H new ATOM 0 HG3 LYS A 54 -8.472 4.950 -7.573 1.00 24.43 H new ATOM 0 HD2 LYS A 54 -8.670 7.055 -6.574 1.00 40.35 H new ATOM 0 HD3 LYS A 54 -9.512 6.002 -5.454 1.00 40.35 H new ATOM 0 HE2 LYS A 54 -8.216 6.822 -3.801 1.00 42.44 H new ATOM 0 HE3 LYS A 54 -6.843 6.013 -4.529 1.00 42.44 H new ATOM 0 HZ1 LYS A 54 -6.256 8.246 -4.364 1.00 32.33 H new ATOM 0 HZ2 LYS A 54 -6.652 8.034 -6.001 1.00 32.33 H new ATOM 0 HZ3 LYS A 54 -7.751 8.794 -4.953 1.00 32.33 H new ATOM 838 N LEU A 55 -10.258 0.581 -6.500 1.00 32.43 N ATOM 839 CA LEU A 55 -10.199 -0.887 -6.501 1.00 73.12 C ATOM 840 C LEU A 55 -9.209 -1.390 -7.549 1.00 25.52 C ATOM 841 O LEU A 55 -8.447 -2.327 -7.312 1.00 42.25 O ATOM 842 CB LEU A 55 -11.588 -1.473 -6.836 1.00 50.31 C ATOM 843 CG LEU A 55 -11.658 -3.007 -6.708 1.00 61.15 C ATOM 844 CD1 LEU A 55 -11.531 -3.471 -5.251 1.00 71.52 C ATOM 845 CD2 LEU A 55 -12.994 -3.500 -7.259 1.00 23.51 C ATOM 0 H LEU A 55 -11.114 0.951 -6.914 1.00 32.43 H new ATOM 0 HA LEU A 55 -9.879 -1.206 -5.509 1.00 73.12 H new ATOM 0 HB2 LEU A 55 -12.330 -1.027 -6.174 1.00 50.31 H new ATOM 0 HB3 LEU A 55 -11.857 -1.189 -7.853 1.00 50.31 H new ATOM 0 HG LEU A 55 -10.823 -3.421 -7.273 1.00 61.15 H new ATOM 0 HD11 LEU A 55 -11.586 -4.559 -5.209 1.00 71.52 H new ATOM 0 HD12 LEU A 55 -10.575 -3.140 -4.846 1.00 71.52 H new ATOM 0 HD13 LEU A 55 -12.342 -3.044 -4.661 1.00 71.52 H new ATOM 0 HD21 LEU A 55 -13.046 -4.585 -7.170 1.00 23.51 H new ATOM 0 HD22 LEU A 55 -13.809 -3.050 -6.693 1.00 23.51 H new ATOM 0 HD23 LEU A 55 -13.081 -3.218 -8.308 1.00 23.51 H new ATOM 857 N ASN A 56 -9.266 -0.781 -8.734 1.00 73.54 N ATOM 858 CA ASN A 56 -8.612 -1.251 -9.954 1.00 30.22 C ATOM 859 C ASN A 56 -7.240 -0.593 -10.141 1.00 13.12 C ATOM 860 O ASN A 56 -6.699 -0.602 -11.244 1.00 10.13 O ATOM 861 CB ASN A 56 -9.544 -1.011 -11.162 1.00 42.21 C ATOM 862 CG ASN A 56 -10.864 -1.753 -10.985 1.00 12.41 C ATOM 863 OD1 ASN A 56 -10.862 -2.970 -10.821 1.00 63.14 O ATOM 864 ND2 ASN A 56 -11.976 -1.038 -10.933 1.00 21.33 N ATOM 0 H ASN A 56 -9.788 0.084 -8.875 1.00 73.54 H new ATOM 0 HA ASN A 56 -8.428 -2.322 -9.872 1.00 30.22 H new ATOM 0 HB2 ASN A 56 -9.734 0.056 -11.274 1.00 42.21 H new ATOM 0 HB3 ASN A 56 -9.054 -1.345 -12.077 1.00 42.21 H new ATOM 0 HD21 ASN A 56 -12.869 -1.496 -10.752 1.00 21.33 H new ATOM 0 HD22 ASN A 56 -11.940 -0.028 -11.074 1.00 21.33 H new ATOM 871 N VAL A 57 -6.685 0.023 -9.096 1.00 44.35 N ATOM 872 CA VAL A 57 -5.399 0.717 -9.135 1.00 73.35 C ATOM 873 C VAL A 57 -4.268 -0.267 -9.396 1.00 11.04 C ATOM 874 O VAL A 57 -4.315 -1.402 -8.917 1.00 45.11 O ATOM 875 CB VAL A 57 -5.213 1.499 -7.820 1.00 30.22 C ATOM 876 CG1 VAL A 57 -5.260 0.627 -6.558 1.00 43.12 C ATOM 877 CG2 VAL A 57 -3.912 2.301 -7.791 1.00 30.32 C ATOM 0 H VAL A 57 -7.129 0.053 -8.178 1.00 44.35 H new ATOM 0 HA VAL A 57 -5.381 1.431 -9.959 1.00 73.35 H new ATOM 0 HB VAL A 57 -6.069 2.173 -7.805 1.00 30.22 H new ATOM 0 HG11 VAL A 57 -5.121 1.254 -5.677 1.00 43.12 H new ATOM 0 HG12 VAL A 57 -6.226 0.126 -6.498 1.00 43.12 H new ATOM 0 HG13 VAL A 57 -4.466 -0.119 -6.601 1.00 43.12 H new ATOM 0 HG21 VAL A 57 -3.833 2.832 -6.842 1.00 30.32 H new ATOM 0 HG22 VAL A 57 -3.065 1.624 -7.900 1.00 30.32 H new ATOM 0 HG23 VAL A 57 -3.909 3.020 -8.610 1.00 30.32 H new ATOM 887 N GLY A 58 -3.249 0.172 -10.132 1.00 71.52 N ATOM 888 CA GLY A 58 -2.042 -0.583 -10.397 1.00 14.33 C ATOM 889 C GLY A 58 -0.795 0.196 -9.981 1.00 42.33 C ATOM 890 O GLY A 58 -0.849 1.114 -9.159 1.00 71.41 O ATOM 0 H GLY A 58 -3.248 1.093 -10.571 1.00 71.52 H new ATOM 0 HA2 GLY A 58 -2.078 -1.530 -9.859 1.00 14.33 H new ATOM 0 HA3 GLY A 58 -1.986 -0.822 -11.459 1.00 14.33 H new ATOM 894 N LEU A 59 0.357 -0.159 -10.554 1.00 3.41 N ATOM 895 CA LEU A 59 1.637 0.466 -10.274 1.00 3.01 C ATOM 896 C LEU A 59 2.435 0.633 -11.551 1.00 24.23 C ATOM 897 O LEU A 59 2.147 0.016 -12.578 1.00 41.34 O ATOM 898 CB LEU A 59 2.412 -0.350 -9.220 1.00 63.14 C ATOM 899 CG LEU A 59 2.979 0.578 -8.138 1.00 45.22 C ATOM 900 CD1 LEU A 59 2.713 0.096 -6.728 1.00 3.15 C ATOM 901 CD2 LEU A 59 4.477 0.770 -8.316 1.00 23.13 C ATOM 0 H LEU A 59 0.419 -0.909 -11.242 1.00 3.41 H new ATOM 0 HA LEU A 59 1.464 1.460 -9.862 1.00 3.01 H new ATOM 0 HB2 LEU A 59 1.752 -1.089 -8.765 1.00 63.14 H new ATOM 0 HB3 LEU A 59 3.223 -0.899 -9.699 1.00 63.14 H new ATOM 0 HG LEU A 59 2.456 1.526 -8.268 1.00 45.22 H new ATOM 0 HD11 LEU A 59 3.142 0.801 -6.016 1.00 3.15 H new ATOM 0 HD12 LEU A 59 1.638 0.024 -6.565 1.00 3.15 H new ATOM 0 HD13 LEU A 59 3.168 -0.885 -6.587 1.00 3.15 H new ATOM 0 HD21 LEU A 59 4.854 1.432 -7.536 1.00 23.13 H new ATOM 0 HD22 LEU A 59 4.978 -0.195 -8.246 1.00 23.13 H new ATOM 0 HD23 LEU A 59 4.674 1.211 -9.293 1.00 23.13 H new ATOM 913 N VAL A 60 3.414 1.523 -11.456 1.00 4.13 N ATOM 914 CA VAL A 60 4.071 2.170 -12.581 1.00 52.32 C ATOM 915 C VAL A 60 5.562 2.361 -12.309 1.00 65.30 C ATOM 916 O VAL A 60 6.372 2.147 -13.213 1.00 24.31 O ATOM 917 CB VAL A 60 3.359 3.511 -12.879 1.00 73.20 C ATOM 918 CG1 VAL A 60 2.084 3.289 -13.694 1.00 50.01 C ATOM 919 CG2 VAL A 60 2.942 4.252 -11.612 1.00 21.20 C ATOM 0 H VAL A 60 3.786 1.825 -10.556 1.00 4.13 H new ATOM 0 HA VAL A 60 3.996 1.534 -13.463 1.00 52.32 H new ATOM 0 HB VAL A 60 4.088 4.104 -13.431 1.00 73.20 H new ATOM 0 HG11 VAL A 60 1.605 4.248 -13.888 1.00 50.01 H new ATOM 0 HG12 VAL A 60 2.336 2.811 -14.641 1.00 50.01 H new ATOM 0 HG13 VAL A 60 1.401 2.649 -13.135 1.00 50.01 H new ATOM 0 HG21 VAL A 60 2.448 5.185 -11.882 1.00 21.20 H new ATOM 0 HG22 VAL A 60 2.255 3.631 -11.037 1.00 21.20 H new ATOM 0 HG23 VAL A 60 3.825 4.470 -11.011 1.00 21.20 H new ATOM 929 N GLY A 61 5.953 2.707 -11.081 1.00 11.22 N ATOM 930 CA GLY A 61 7.343 3.056 -10.779 1.00 2.01 C ATOM 931 C GLY A 61 7.693 2.811 -9.323 1.00 63.31 C ATOM 932 O GLY A 61 6.873 3.063 -8.442 1.00 13.11 O ATOM 0 H GLY A 61 5.326 2.753 -10.278 1.00 11.22 H new ATOM 0 HA2 GLY A 61 8.009 2.471 -11.414 1.00 2.01 H new ATOM 0 HA3 GLY A 61 7.513 4.105 -11.020 1.00 2.01 H new ATOM 936 N VAL A 62 8.907 2.313 -9.081 1.00 43.42 N ATOM 937 CA VAL A 62 9.449 2.058 -7.755 1.00 53.24 C ATOM 938 C VAL A 62 10.971 2.148 -7.852 1.00 70.50 C ATOM 939 O VAL A 62 11.604 1.295 -8.479 1.00 5.14 O ATOM 940 CB VAL A 62 9.073 0.661 -7.234 1.00 13.43 C ATOM 941 CG1 VAL A 62 9.351 0.564 -5.741 1.00 73.30 C ATOM 942 CG2 VAL A 62 7.638 0.199 -7.477 1.00 53.00 C ATOM 0 H VAL A 62 9.556 2.070 -9.829 1.00 43.42 H new ATOM 0 HA VAL A 62 9.036 2.792 -7.063 1.00 53.24 H new ATOM 0 HB VAL A 62 9.702 -0.004 -7.826 1.00 13.43 H new ATOM 0 HG11 VAL A 62 9.081 -0.430 -5.384 1.00 73.30 H new ATOM 0 HG12 VAL A 62 10.411 0.740 -5.556 1.00 73.30 H new ATOM 0 HG13 VAL A 62 8.761 1.312 -5.212 1.00 73.30 H new ATOM 0 HG21 VAL A 62 7.502 -0.800 -7.062 1.00 53.00 H new ATOM 0 HG22 VAL A 62 6.947 0.890 -6.994 1.00 53.00 H new ATOM 0 HG23 VAL A 62 7.439 0.177 -8.549 1.00 53.00 H new ATOM 952 N GLU A 63 11.542 3.183 -7.258 1.00 51.23 N ATOM 953 CA GLU A 63 12.975 3.416 -7.102 1.00 21.42 C ATOM 954 C GLU A 63 13.306 4.030 -5.736 1.00 22.11 C ATOM 955 O GLU A 63 12.482 4.758 -5.183 1.00 22.33 O ATOM 956 CB GLU A 63 13.432 4.409 -8.156 1.00 55.23 C ATOM 957 CG GLU A 63 13.334 3.824 -9.558 1.00 5.03 C ATOM 958 CD GLU A 63 14.567 3.008 -9.949 1.00 52.33 C ATOM 959 OE1 GLU A 63 15.094 2.216 -9.136 1.00 4.42 O ATOM 960 OE2 GLU A 63 15.009 3.149 -11.109 1.00 54.22 O ATOM 0 H GLU A 63 10.986 3.931 -6.845 1.00 51.23 H new ATOM 0 HA GLU A 63 13.475 2.452 -7.199 1.00 21.42 H new ATOM 0 HB2 GLU A 63 12.824 5.311 -8.094 1.00 55.23 H new ATOM 0 HB3 GLU A 63 14.462 4.705 -7.956 1.00 55.23 H new ATOM 0 HG2 GLU A 63 12.450 3.190 -9.621 1.00 5.03 H new ATOM 0 HG3 GLU A 63 13.197 4.633 -10.275 1.00 5.03 H new ATOM 967 N PRO A 64 14.513 3.808 -5.196 1.00 44.24 N ATOM 968 CA PRO A 64 14.971 4.389 -3.939 1.00 75.34 C ATOM 969 C PRO A 64 15.029 5.915 -4.036 1.00 72.43 C ATOM 970 O PRO A 64 15.375 6.464 -5.084 1.00 62.11 O ATOM 971 CB PRO A 64 16.368 3.793 -3.722 1.00 2.12 C ATOM 972 CG PRO A 64 16.853 3.551 -5.148 1.00 21.21 C ATOM 973 CD PRO A 64 15.579 3.051 -5.819 1.00 34.14 C ATOM 0 HA PRO A 64 14.300 4.166 -3.110 1.00 75.34 H new ATOM 0 HB2 PRO A 64 17.022 4.479 -3.183 1.00 2.12 H new ATOM 0 HB3 PRO A 64 16.329 2.869 -3.145 1.00 2.12 H new ATOM 0 HG2 PRO A 64 17.232 4.461 -5.613 1.00 21.21 H new ATOM 0 HG3 PRO A 64 17.655 2.814 -5.189 1.00 21.21 H new ATOM 0 HD2 PRO A 64 15.607 3.219 -6.896 1.00 34.14 H new ATOM 0 HD3 PRO A 64 15.445 1.980 -5.667 1.00 34.14 H new ATOM 981 N ALA A 65 14.774 6.610 -2.928 1.00 61.42 N ATOM 982 CA ALA A 65 15.029 8.037 -2.783 1.00 2.02 C ATOM 983 C ALA A 65 15.518 8.307 -1.363 1.00 33.54 C ATOM 984 O ALA A 65 15.423 7.457 -0.473 1.00 74.20 O ATOM 985 CB ALA A 65 13.783 8.852 -3.150 1.00 33.34 C ATOM 0 H ALA A 65 14.376 6.185 -2.090 1.00 61.42 H new ATOM 0 HA ALA A 65 15.809 8.354 -3.475 1.00 2.02 H new ATOM 0 HB1 ALA A 65 13.996 9.915 -3.034 1.00 33.34 H new ATOM 0 HB2 ALA A 65 13.506 8.648 -4.184 1.00 33.34 H new ATOM 0 HB3 ALA A 65 12.959 8.574 -2.492 1.00 33.34 H new ATOM 991 N GLY A 66 16.154 9.457 -1.147 1.00 63.54 N ATOM 992 CA GLY A 66 16.884 9.758 0.080 1.00 44.31 C ATOM 993 C GLY A 66 18.129 8.894 0.271 1.00 44.41 C ATOM 994 O GLY A 66 19.115 9.433 0.764 1.00 55.31 O ATOM 0 H GLY A 66 16.176 10.215 -1.829 1.00 63.54 H new ATOM 0 HA2 GLY A 66 17.177 10.808 0.072 1.00 44.31 H new ATOM 0 HA3 GLY A 66 16.220 9.619 0.933 1.00 44.31 H new ATOM 998 N GLN A 67 18.144 7.645 -0.220 1.00 3.21 N ATOM 999 CA GLN A 67 18.863 6.436 0.158 1.00 43.44 C ATOM 1000 C GLN A 67 18.282 5.756 1.410 1.00 63.50 C ATOM 1001 O GLN A 67 19.000 5.059 2.130 1.00 74.10 O ATOM 1002 CB GLN A 67 20.352 6.710 0.297 1.00 12.05 C ATOM 1003 CG GLN A 67 20.921 7.528 -0.860 1.00 62.11 C ATOM 1004 CD GLN A 67 22.436 7.440 -0.929 1.00 24.45 C ATOM 1005 OE1 GLN A 67 23.001 6.524 -1.524 1.00 32.15 O ATOM 1006 NE2 GLN A 67 23.118 8.410 -0.344 1.00 73.32 N ATOM 0 H GLN A 67 17.550 7.439 -1.023 1.00 3.21 H new ATOM 0 HA GLN A 67 18.727 5.721 -0.654 1.00 43.44 H new ATOM 0 HB2 GLN A 67 20.532 7.240 1.232 1.00 12.05 H new ATOM 0 HB3 GLN A 67 20.886 5.762 0.361 1.00 12.05 H new ATOM 0 HG2 GLN A 67 20.494 7.174 -1.798 1.00 62.11 H new ATOM 0 HG3 GLN A 67 20.623 8.571 -0.748 1.00 62.11 H new ATOM 0 HE21 GLN A 67 22.625 9.158 0.143 1.00 73.32 H new ATOM 0 HE22 GLN A 67 24.137 8.410 -0.380 1.00 73.32 H new ATOM 1015 N TYR A 68 16.992 5.945 1.697 1.00 3.34 N ATOM 1016 CA TYR A 68 16.306 5.300 2.825 1.00 22.52 C ATOM 1017 C TYR A 68 14.791 5.198 2.654 1.00 24.32 C ATOM 1018 O TYR A 68 14.118 4.581 3.487 1.00 0.43 O ATOM 1019 CB TYR A 68 16.592 6.065 4.126 1.00 33.24 C ATOM 1020 CG TYR A 68 16.784 7.559 3.990 1.00 73.23 C ATOM 1021 CD1 TYR A 68 18.049 8.062 3.643 1.00 3.11 C ATOM 1022 CD2 TYR A 68 15.705 8.438 4.175 1.00 42.04 C ATOM 1023 CE1 TYR A 68 18.243 9.431 3.433 1.00 11.44 C ATOM 1024 CE2 TYR A 68 15.895 9.818 4.013 1.00 53.44 C ATOM 1025 CZ TYR A 68 17.159 10.320 3.632 1.00 14.04 C ATOM 1026 OH TYR A 68 17.303 11.659 3.473 1.00 24.20 O ATOM 0 H TYR A 68 16.386 6.556 1.149 1.00 3.34 H new ATOM 0 HA TYR A 68 16.701 4.285 2.863 1.00 22.52 H new ATOM 0 HB2 TYR A 68 15.768 5.886 4.817 1.00 33.24 H new ATOM 0 HB3 TYR A 68 17.488 5.644 4.582 1.00 33.24 H new ATOM 0 HD1 TYR A 68 18.882 7.383 3.537 1.00 3.11 H new ATOM 0 HD2 TYR A 68 14.732 8.053 4.441 1.00 42.04 H new ATOM 0 HE1 TYR A 68 19.207 9.805 3.123 1.00 11.44 H new ATOM 0 HE2 TYR A 68 15.073 10.498 4.180 1.00 53.44 H new ATOM 0 HH TYR A 68 16.448 12.103 3.652 1.00 24.20 H new ATOM 1036 N ALA A 69 14.237 5.854 1.640 1.00 52.22 N ATOM 1037 CA ALA A 69 12.834 6.162 1.595 1.00 51.30 C ATOM 1038 C ALA A 69 12.352 6.114 0.154 1.00 31.35 C ATOM 1039 O ALA A 69 12.637 6.979 -0.669 1.00 55.23 O ATOM 1040 CB ALA A 69 12.604 7.497 2.275 1.00 31.11 C ATOM 0 H ALA A 69 14.761 6.183 0.829 1.00 52.22 H new ATOM 0 HA ALA A 69 12.244 5.424 2.139 1.00 51.30 H new ATOM 0 HB1 ALA A 69 11.542 7.741 2.247 1.00 31.11 H new ATOM 0 HB2 ALA A 69 12.936 7.439 3.312 1.00 31.11 H new ATOM 0 HB3 ALA A 69 13.168 8.272 1.756 1.00 31.11 H new ATOM 1046 N LEU A 70 11.671 5.022 -0.138 1.00 64.10 N ATOM 1047 CA LEU A 70 11.346 4.534 -1.461 1.00 60.31 C ATOM 1048 C LEU A 70 10.331 5.445 -2.149 1.00 21.22 C ATOM 1049 O LEU A 70 9.282 5.748 -1.581 1.00 34.13 O ATOM 1050 CB LEU A 70 10.834 3.094 -1.299 1.00 20.45 C ATOM 1051 CG LEU A 70 10.330 2.424 -2.587 1.00 24.35 C ATOM 1052 CD1 LEU A 70 11.374 2.429 -3.702 1.00 41.22 C ATOM 1053 CD2 LEU A 70 9.961 0.969 -2.312 1.00 34.51 C ATOM 0 H LEU A 70 11.306 4.413 0.594 1.00 64.10 H new ATOM 0 HA LEU A 70 12.224 4.538 -2.107 1.00 60.31 H new ATOM 0 HB2 LEU A 70 11.637 2.486 -0.884 1.00 20.45 H new ATOM 0 HB3 LEU A 70 10.024 3.094 -0.569 1.00 20.45 H new ATOM 0 HG LEU A 70 9.465 3.002 -2.911 1.00 24.35 H new ATOM 0 HD11 LEU A 70 10.963 1.943 -4.587 1.00 41.22 H new ATOM 0 HD12 LEU A 70 11.643 3.457 -3.944 1.00 41.22 H new ATOM 0 HD13 LEU A 70 12.262 1.890 -3.371 1.00 41.22 H new ATOM 0 HD21 LEU A 70 9.605 0.504 -3.231 1.00 34.51 H new ATOM 0 HD22 LEU A 70 10.839 0.433 -1.950 1.00 34.51 H new ATOM 0 HD23 LEU A 70 9.175 0.929 -1.558 1.00 34.51 H new ATOM 1065 N LYS A 71 10.641 5.856 -3.382 1.00 24.34 N ATOM 1066 CA LYS A 71 9.759 6.591 -4.273 1.00 74.24 C ATOM 1067 C LYS A 71 8.856 5.595 -4.991 1.00 2.21 C ATOM 1068 O LYS A 71 9.195 5.098 -6.073 1.00 55.32 O ATOM 1069 CB LYS A 71 10.594 7.415 -5.269 1.00 21.22 C ATOM 1070 CG LYS A 71 9.717 8.386 -6.077 1.00 32.40 C ATOM 1071 CD LYS A 71 10.426 8.864 -7.351 1.00 15.34 C ATOM 1072 CE LYS A 71 9.407 9.621 -8.210 1.00 4.23 C ATOM 1073 NZ LYS A 71 9.798 9.712 -9.631 1.00 61.35 N ATOM 0 H LYS A 71 11.554 5.674 -3.798 1.00 24.34 H new ATOM 0 HA LYS A 71 9.138 7.287 -3.709 1.00 74.24 H new ATOM 0 HB2 LYS A 71 11.356 7.976 -4.728 1.00 21.22 H new ATOM 0 HB3 LYS A 71 11.116 6.743 -5.950 1.00 21.22 H new ATOM 0 HG2 LYS A 71 8.781 7.895 -6.344 1.00 32.40 H new ATOM 0 HG3 LYS A 71 9.461 9.246 -5.458 1.00 32.40 H new ATOM 0 HD2 LYS A 71 11.266 9.511 -7.099 1.00 15.34 H new ATOM 0 HD3 LYS A 71 10.832 8.015 -7.902 1.00 15.34 H new ATOM 0 HE2 LYS A 71 8.440 9.124 -8.137 1.00 4.23 H new ATOM 0 HE3 LYS A 71 9.280 10.627 -7.810 1.00 4.23 H new ATOM 0 HZ1 LYS A 71 9.070 10.234 -10.159 1.00 61.35 H new ATOM 0 HZ2 LYS A 71 10.707 10.211 -9.710 1.00 61.35 H new ATOM 0 HZ3 LYS A 71 9.893 8.755 -10.027 1.00 61.35 H new ATOM 1087 N LEU A 72 7.703 5.295 -4.406 1.00 52.22 N ATOM 1088 CA LEU A 72 6.640 4.621 -5.131 1.00 74.22 C ATOM 1089 C LEU A 72 5.988 5.600 -6.101 1.00 2.33 C ATOM 1090 O LEU A 72 6.203 6.816 -6.082 1.00 24.33 O ATOM 1091 CB LEU A 72 5.648 3.972 -4.141 1.00 71.21 C ATOM 1092 CG LEU A 72 6.205 2.581 -3.761 1.00 34.23 C ATOM 1093 CD1 LEU A 72 5.978 2.209 -2.301 1.00 22.13 C ATOM 1094 CD2 LEU A 72 5.602 1.522 -4.683 1.00 0.02 C ATOM 0 H LEU A 72 7.483 5.508 -3.433 1.00 52.22 H new ATOM 0 HA LEU A 72 7.042 3.805 -5.731 1.00 74.22 H new ATOM 0 HB2 LEU A 72 5.533 4.593 -3.253 1.00 71.21 H new ATOM 0 HB3 LEU A 72 4.661 3.878 -4.595 1.00 71.21 H new ATOM 0 HG LEU A 72 7.286 2.626 -3.891 1.00 34.23 H new ATOM 0 HD11 LEU A 72 6.395 1.221 -2.108 1.00 22.13 H new ATOM 0 HD12 LEU A 72 6.468 2.941 -1.659 1.00 22.13 H new ATOM 0 HD13 LEU A 72 4.909 2.199 -2.090 1.00 22.13 H new ATOM 0 HD21 LEU A 72 5.994 0.541 -4.416 1.00 0.02 H new ATOM 0 HD22 LEU A 72 4.517 1.521 -4.575 1.00 0.02 H new ATOM 0 HD23 LEU A 72 5.864 1.748 -5.717 1.00 0.02 H new ATOM 1106 N SER A 73 5.229 5.042 -7.028 1.00 20.54 N ATOM 1107 CA SER A 73 4.410 5.738 -7.993 1.00 23.40 C ATOM 1108 C SER A 73 3.270 4.763 -8.255 1.00 31.53 C ATOM 1109 O SER A 73 3.514 3.679 -8.796 1.00 44.30 O ATOM 1110 CB SER A 73 5.251 6.057 -9.237 1.00 54.44 C ATOM 1111 OG SER A 73 6.380 6.843 -8.875 1.00 43.05 O ATOM 0 H SER A 73 5.168 4.029 -7.129 1.00 20.54 H new ATOM 0 HA SER A 73 4.024 6.702 -7.662 1.00 23.40 H new ATOM 0 HB2 SER A 73 5.579 5.132 -9.711 1.00 54.44 H new ATOM 0 HB3 SER A 73 4.645 6.592 -9.968 1.00 54.44 H new ATOM 0 HG SER A 73 6.911 7.040 -9.675 1.00 43.05 H new ATOM 1117 N PHE A 74 2.066 5.070 -7.775 1.00 53.04 N ATOM 1118 CA PHE A 74 0.877 4.277 -8.050 1.00 61.33 C ATOM 1119 C PHE A 74 0.241 4.825 -9.320 1.00 62.21 C ATOM 1120 O PHE A 74 0.219 6.038 -9.528 1.00 71.44 O ATOM 1121 CB PHE A 74 -0.123 4.364 -6.878 1.00 34.50 C ATOM 1122 CG PHE A 74 0.428 4.053 -5.494 1.00 51.23 C ATOM 1123 CD1 PHE A 74 0.874 2.759 -5.171 1.00 13.11 C ATOM 1124 CD2 PHE A 74 0.495 5.062 -4.514 1.00 34.13 C ATOM 1125 CE1 PHE A 74 1.436 2.488 -3.915 1.00 20.51 C ATOM 1126 CE2 PHE A 74 1.047 4.789 -3.251 1.00 63.21 C ATOM 1127 CZ PHE A 74 1.524 3.503 -2.951 1.00 75.32 C ATOM 0 H PHE A 74 1.891 5.881 -7.182 1.00 53.04 H new ATOM 0 HA PHE A 74 1.148 3.229 -8.175 1.00 61.33 H new ATOM 0 HB2 PHE A 74 -0.542 5.370 -6.861 1.00 34.50 H new ATOM 0 HB3 PHE A 74 -0.946 3.679 -7.080 1.00 34.50 H new ATOM 0 HD1 PHE A 74 0.783 1.965 -5.898 1.00 13.11 H new ATOM 0 HD2 PHE A 74 0.120 6.051 -4.734 1.00 34.13 H new ATOM 0 HE1 PHE A 74 1.801 1.497 -3.690 1.00 20.51 H new ATOM 0 HE2 PHE A 74 1.105 5.571 -2.508 1.00 63.21 H new ATOM 0 HZ PHE A 74 1.956 3.296 -1.983 1.00 75.32 H new ATOM 1137 N ASP A 75 -0.340 3.931 -10.121 1.00 10.34 N ATOM 1138 CA ASP A 75 -1.168 4.260 -11.292 1.00 54.21 C ATOM 1139 C ASP A 75 -2.457 5.016 -10.915 1.00 51.32 C ATOM 1140 O ASP A 75 -3.176 5.504 -11.784 1.00 43.33 O ATOM 1141 CB ASP A 75 -1.365 2.982 -12.139 1.00 72.15 C ATOM 1142 CG ASP A 75 -2.777 2.667 -12.634 1.00 21.23 C ATOM 1143 OD1 ASP A 75 -3.665 2.430 -11.788 1.00 51.11 O ATOM 1144 OD2 ASP A 75 -2.969 2.483 -13.860 1.00 23.32 O ATOM 0 H ASP A 75 -0.247 2.926 -9.972 1.00 10.34 H new ATOM 0 HA ASP A 75 -0.652 4.981 -11.926 1.00 54.21 H new ATOM 0 HB2 ASP A 75 -0.713 3.053 -13.009 1.00 72.15 H new ATOM 0 HB3 ASP A 75 -1.019 2.133 -11.550 1.00 72.15 H new ATOM 1149 N ASP A 76 -2.701 5.192 -9.614 1.00 11.04 N ATOM 1150 CA ASP A 76 -3.658 6.125 -9.016 1.00 41.03 C ATOM 1151 C ASP A 76 -3.404 7.575 -9.452 1.00 61.52 C ATOM 1152 O ASP A 76 -4.344 8.368 -9.572 1.00 74.53 O ATOM 1153 CB ASP A 76 -3.497 6.041 -7.488 1.00 33.33 C ATOM 1154 CG ASP A 76 -4.572 6.770 -6.684 1.00 20.53 C ATOM 1155 OD1 ASP A 76 -5.615 7.189 -7.231 1.00 1.34 O ATOM 1156 OD2 ASP A 76 -4.424 6.860 -5.446 1.00 21.23 O ATOM 0 H ASP A 76 -2.204 4.652 -8.906 1.00 11.04 H new ATOM 0 HA ASP A 76 -4.661 5.851 -9.342 1.00 41.03 H new ATOM 0 HB2 ASP A 76 -3.495 4.991 -7.195 1.00 33.33 H new ATOM 0 HB3 ASP A 76 -2.523 6.449 -7.217 1.00 33.33 H new ATOM 1161 N GLY A 77 -2.134 7.923 -9.674 1.00 3.33 N ATOM 1162 CA GLY A 77 -1.655 9.293 -9.713 1.00 44.41 C ATOM 1163 C GLY A 77 -1.010 9.652 -8.373 1.00 0.03 C ATOM 1164 O GLY A 77 -0.683 8.760 -7.588 1.00 35.54 O ATOM 0 H GLY A 77 -1.397 7.236 -9.835 1.00 3.33 H new ATOM 0 HA2 GLY A 77 -0.932 9.413 -10.519 1.00 44.41 H new ATOM 0 HA3 GLY A 77 -2.482 9.972 -9.923 1.00 44.41 H new ATOM 1168 N HIS A 78 -0.839 10.958 -8.126 1.00 41.44 N ATOM 1169 CA HIS A 78 -0.348 11.559 -6.883 1.00 40.02 C ATOM 1170 C HIS A 78 0.875 10.809 -6.333 1.00 55.34 C ATOM 1171 O HIS A 78 0.780 10.094 -5.334 1.00 53.31 O ATOM 1172 CB HIS A 78 -1.511 11.689 -5.880 1.00 11.00 C ATOM 1173 CG HIS A 78 -1.149 12.291 -4.541 1.00 32.24 C ATOM 1174 ND1 HIS A 78 -1.793 12.032 -3.350 1.00 75.21 N ATOM 1175 CD2 HIS A 78 -0.114 13.148 -4.271 1.00 23.24 C ATOM 1176 CE1 HIS A 78 -1.150 12.700 -2.381 1.00 75.23 C ATOM 1177 NE2 HIS A 78 -0.116 13.389 -2.891 1.00 75.11 N ATOM 0 H HIS A 78 -1.053 11.663 -8.832 1.00 41.44 H new ATOM 0 HA HIS A 78 0.016 12.567 -7.082 1.00 40.02 H new ATOM 0 HB2 HIS A 78 -2.293 12.298 -6.333 1.00 11.00 H new ATOM 0 HB3 HIS A 78 -1.935 10.699 -5.711 1.00 11.00 H new ATOM 0 HD2 HIS A 78 0.577 13.562 -4.991 1.00 23.24 H new ATOM 0 HE1 HIS A 78 -1.425 12.686 -1.337 1.00 75.23 H new ATOM 0 HE2 HIS A 78 0.540 13.974 -2.374 1.00 75.11 H new ATOM 1185 N ASP A 79 2.022 10.962 -6.998 1.00 34.14 N ATOM 1186 CA ASP A 79 3.262 10.240 -6.690 1.00 15.21 C ATOM 1187 C ASP A 79 4.005 10.892 -5.493 1.00 1.41 C ATOM 1188 O ASP A 79 3.446 11.757 -4.813 1.00 3.34 O ATOM 1189 CB ASP A 79 4.094 10.074 -7.980 1.00 43.25 C ATOM 1190 CG ASP A 79 5.449 10.777 -8.001 1.00 31.21 C ATOM 1191 OD1 ASP A 79 5.542 12.018 -8.111 1.00 62.44 O ATOM 1192 OD2 ASP A 79 6.457 10.050 -7.900 1.00 34.43 O ATOM 0 H ASP A 79 2.119 11.605 -7.784 1.00 34.14 H new ATOM 0 HA ASP A 79 3.045 9.229 -6.345 1.00 15.21 H new ATOM 0 HB2 ASP A 79 4.257 9.010 -8.148 1.00 43.25 H new ATOM 0 HB3 ASP A 79 3.503 10.442 -8.819 1.00 43.25 H new ATOM 1197 N SER A 80 5.234 10.460 -5.176 1.00 71.41 N ATOM 1198 CA SER A 80 6.151 11.132 -4.251 1.00 20.34 C ATOM 1199 C SER A 80 5.653 11.249 -2.794 1.00 52.25 C ATOM 1200 O SER A 80 6.001 12.199 -2.085 1.00 40.34 O ATOM 1201 CB SER A 80 6.600 12.479 -4.846 1.00 61.25 C ATOM 1202 OG SER A 80 7.327 12.294 -6.052 1.00 11.21 O ATOM 0 H SER A 80 5.627 9.606 -5.570 1.00 71.41 H new ATOM 0 HA SER A 80 7.020 10.481 -4.153 1.00 20.34 H new ATOM 0 HB2 SER A 80 5.727 13.103 -5.037 1.00 61.25 H new ATOM 0 HB3 SER A 80 7.220 13.010 -4.123 1.00 61.25 H new ATOM 0 HG SER A 80 7.598 13.166 -6.408 1.00 11.21 H new ATOM 1208 N GLY A 81 4.859 10.298 -2.296 1.00 22.31 N ATOM 1209 CA GLY A 81 4.318 10.362 -0.937 1.00 35.11 C ATOM 1210 C GLY A 81 5.351 10.257 0.199 1.00 72.11 C ATOM 1211 O GLY A 81 5.101 10.840 1.252 1.00 52.35 O ATOM 0 H GLY A 81 4.575 9.469 -2.818 1.00 22.31 H new ATOM 0 HA2 GLY A 81 3.777 11.302 -0.825 1.00 35.11 H new ATOM 0 HA3 GLY A 81 3.591 9.559 -0.817 1.00 35.11 H new ATOM 1215 N LEU A 82 6.519 9.631 -0.024 1.00 43.02 N ATOM 1216 CA LEU A 82 7.567 9.220 0.935 1.00 62.25 C ATOM 1217 C LEU A 82 7.195 7.972 1.749 1.00 21.32 C ATOM 1218 O LEU A 82 6.265 8.007 2.554 1.00 51.01 O ATOM 1219 CB LEU A 82 7.939 10.380 1.890 1.00 73.34 C ATOM 1220 CG LEU A 82 9.377 10.361 2.439 1.00 24.43 C ATOM 1221 CD1 LEU A 82 9.660 11.709 3.110 1.00 42.35 C ATOM 1222 CD2 LEU A 82 9.599 9.263 3.488 1.00 4.22 C ATOM 0 H LEU A 82 6.782 9.373 -0.975 1.00 43.02 H new ATOM 0 HA LEU A 82 8.433 8.958 0.327 1.00 62.25 H new ATOM 0 HB2 LEU A 82 7.783 11.322 1.365 1.00 73.34 H new ATOM 0 HB3 LEU A 82 7.248 10.367 2.733 1.00 73.34 H new ATOM 0 HG LEU A 82 10.042 10.167 1.598 1.00 24.43 H new ATOM 0 HD11 LEU A 82 10.676 11.713 3.505 1.00 42.35 H new ATOM 0 HD12 LEU A 82 9.552 12.509 2.378 1.00 42.35 H new ATOM 0 HD13 LEU A 82 8.953 11.865 3.925 1.00 42.35 H new ATOM 0 HD21 LEU A 82 10.630 9.298 3.839 1.00 4.22 H new ATOM 0 HD22 LEU A 82 8.924 9.422 4.329 1.00 4.22 H new ATOM 0 HD23 LEU A 82 9.400 8.288 3.042 1.00 4.22 H new ATOM 1234 N PHE A 83 7.948 6.875 1.589 1.00 74.14 N ATOM 1235 CA PHE A 83 7.832 5.659 2.397 1.00 34.23 C ATOM 1236 C PHE A 83 9.203 5.232 2.933 1.00 60.23 C ATOM 1237 O PHE A 83 10.063 4.875 2.131 1.00 15.41 O ATOM 1238 CB PHE A 83 7.325 4.506 1.526 1.00 3.21 C ATOM 1239 CG PHE A 83 5.862 4.470 1.173 1.00 75.51 C ATOM 1240 CD1 PHE A 83 4.924 4.082 2.139 1.00 75.14 C ATOM 1241 CD2 PHE A 83 5.446 4.695 -0.147 1.00 3.32 C ATOM 1242 CE1 PHE A 83 3.568 3.988 1.805 1.00 54.24 C ATOM 1243 CE2 PHE A 83 4.090 4.536 -0.494 1.00 32.13 C ATOM 1244 CZ PHE A 83 3.142 4.220 0.494 1.00 40.41 C ATOM 0 H PHE A 83 8.673 6.810 0.874 1.00 74.14 H new ATOM 0 HA PHE A 83 7.148 5.873 3.218 1.00 34.23 H new ATOM 0 HB2 PHE A 83 7.892 4.518 0.595 1.00 3.21 H new ATOM 0 HB3 PHE A 83 7.568 3.573 2.035 1.00 3.21 H new ATOM 0 HD1 PHE A 83 5.248 3.855 3.144 1.00 75.14 H new ATOM 0 HD2 PHE A 83 6.165 4.990 -0.897 1.00 3.32 H new ATOM 0 HE1 PHE A 83 2.845 3.734 2.566 1.00 54.24 H new ATOM 0 HE2 PHE A 83 3.778 4.657 -1.521 1.00 32.13 H new ATOM 0 HZ PHE A 83 2.094 4.157 0.243 1.00 40.41 H new ATOM 1254 N THR A 84 9.434 5.201 4.247 1.00 22.43 N ATOM 1255 CA THR A 84 10.658 4.613 4.807 1.00 52.31 C ATOM 1256 C THR A 84 10.724 3.104 4.506 1.00 11.04 C ATOM 1257 O THR A 84 9.685 2.438 4.482 1.00 71.21 O ATOM 1258 CB THR A 84 10.700 4.831 6.334 1.00 72.24 C ATOM 1259 OG1 THR A 84 10.047 6.032 6.705 1.00 62.53 O ATOM 1260 CG2 THR A 84 12.150 4.840 6.834 1.00 2.11 C ATOM 0 H THR A 84 8.791 5.575 4.945 1.00 22.43 H new ATOM 0 HA THR A 84 11.514 5.104 4.344 1.00 52.31 H new ATOM 0 HB THR A 84 10.168 4.002 6.801 1.00 72.24 H new ATOM 0 HG1 THR A 84 10.089 6.140 7.678 1.00 62.53 H new ATOM 0 HG21 THR A 84 12.162 4.995 7.913 1.00 2.11 H new ATOM 0 HG22 THR A 84 12.622 3.886 6.599 1.00 2.11 H new ATOM 0 HG23 THR A 84 12.698 5.646 6.346 1.00 2.11 H new ATOM 1268 N TRP A 85 11.930 2.533 4.386 1.00 73.30 N ATOM 1269 CA TRP A 85 12.113 1.091 4.206 1.00 1.03 C ATOM 1270 C TRP A 85 11.441 0.263 5.311 1.00 21.21 C ATOM 1271 O TRP A 85 10.713 -0.686 5.012 1.00 12.33 O ATOM 1272 CB TRP A 85 13.607 0.734 4.121 1.00 60.22 C ATOM 1273 CG TRP A 85 14.336 1.149 2.874 1.00 72.43 C ATOM 1274 CD1 TRP A 85 15.500 1.833 2.817 1.00 33.33 C ATOM 1275 CD2 TRP A 85 14.017 0.819 1.489 1.00 40.41 C ATOM 1276 NE1 TRP A 85 15.908 1.962 1.504 1.00 41.13 N ATOM 1277 CE2 TRP A 85 15.042 1.330 0.640 1.00 21.33 C ATOM 1278 CE3 TRP A 85 12.988 0.092 0.865 1.00 32.54 C ATOM 1279 CZ2 TRP A 85 15.042 1.131 -0.751 1.00 74.54 C ATOM 1280 CZ3 TRP A 85 12.988 -0.131 -0.521 1.00 20.54 C ATOM 1281 CH2 TRP A 85 13.998 0.394 -1.337 1.00 61.12 C ATOM 0 H TRP A 85 12.804 3.059 4.411 1.00 73.30 H new ATOM 0 HA TRP A 85 11.625 0.836 3.265 1.00 1.03 H new ATOM 0 HB2 TRP A 85 14.112 1.185 4.975 1.00 60.22 H new ATOM 0 HB3 TRP A 85 13.704 -0.347 4.227 1.00 60.22 H new ATOM 0 HD1 TRP A 85 16.033 2.222 3.672 1.00 33.33 H new ATOM 0 HE1 TRP A 85 16.747 2.463 1.211 1.00 41.13 H new ATOM 0 HE3 TRP A 85 12.181 -0.303 1.464 1.00 32.54 H new ATOM 0 HZ2 TRP A 85 15.834 1.539 -1.362 1.00 74.54 H new ATOM 0 HZ3 TRP A 85 12.197 -0.717 -0.965 1.00 20.54 H new ATOM 0 HH2 TRP A 85 13.975 0.234 -2.405 1.00 61.12 H new ATOM 1292 N ASP A 86 11.679 0.605 6.577 1.00 75.21 N ATOM 1293 CA ASP A 86 11.162 -0.115 7.748 1.00 23.55 C ATOM 1294 C ASP A 86 9.655 0.048 7.905 1.00 12.05 C ATOM 1295 O ASP A 86 9.007 -0.839 8.465 1.00 61.52 O ATOM 1296 CB ASP A 86 11.888 0.377 9.012 1.00 72.41 C ATOM 1297 CG ASP A 86 13.267 -0.255 9.228 1.00 60.34 C ATOM 1298 OD1 ASP A 86 13.987 -0.540 8.248 1.00 35.52 O ATOM 1299 OD2 ASP A 86 13.614 -0.462 10.413 1.00 23.22 O ATOM 0 H ASP A 86 12.252 1.411 6.827 1.00 75.21 H new ATOM 0 HA ASP A 86 11.353 -1.178 7.600 1.00 23.55 H new ATOM 0 HB2 ASP A 86 12.001 1.460 8.955 1.00 72.41 H new ATOM 0 HB3 ASP A 86 11.264 0.168 9.881 1.00 72.41 H new ATOM 1304 N TYR A 87 9.080 1.131 7.378 1.00 53.12 N ATOM 1305 CA TYR A 87 7.635 1.281 7.290 1.00 72.33 C ATOM 1306 C TYR A 87 7.085 0.323 6.229 1.00 51.42 C ATOM 1307 O TYR A 87 6.103 -0.372 6.466 1.00 55.10 O ATOM 1308 CB TYR A 87 7.279 2.748 7.015 1.00 55.42 C ATOM 1309 CG TYR A 87 5.797 3.025 6.849 1.00 53.11 C ATOM 1310 CD1 TYR A 87 4.859 2.501 7.759 1.00 60.43 C ATOM 1311 CD2 TYR A 87 5.354 3.819 5.777 1.00 73.23 C ATOM 1312 CE1 TYR A 87 3.490 2.763 7.592 1.00 51.40 C ATOM 1313 CE2 TYR A 87 3.981 4.056 5.584 1.00 64.54 C ATOM 1314 CZ TYR A 87 3.041 3.532 6.497 1.00 21.31 C ATOM 1315 OH TYR A 87 1.711 3.751 6.326 1.00 41.24 O ATOM 0 H TYR A 87 9.604 1.922 7.003 1.00 53.12 H new ATOM 0 HA TYR A 87 7.166 1.015 8.237 1.00 72.33 H new ATOM 0 HB2 TYR A 87 7.658 3.359 7.834 1.00 55.42 H new ATOM 0 HB3 TYR A 87 7.797 3.069 6.112 1.00 55.42 H new ATOM 0 HD1 TYR A 87 5.194 1.895 8.588 1.00 60.43 H new ATOM 0 HD2 TYR A 87 6.073 4.250 5.096 1.00 73.23 H new ATOM 0 HE1 TYR A 87 2.777 2.374 8.304 1.00 51.40 H new ATOM 0 HE2 TYR A 87 3.647 4.638 4.738 1.00 64.54 H new ATOM 0 HH TYR A 87 1.503 3.770 5.369 1.00 41.24 H new ATOM 1325 N LEU A 88 7.733 0.217 5.067 1.00 14.05 N ATOM 1326 CA LEU A 88 7.274 -0.680 4.011 1.00 74.41 C ATOM 1327 C LEU A 88 7.336 -2.141 4.444 1.00 35.15 C ATOM 1328 O LEU A 88 6.364 -2.879 4.258 1.00 64.24 O ATOM 1329 CB LEU A 88 8.080 -0.451 2.732 1.00 2.13 C ATOM 1330 CG LEU A 88 7.607 0.820 2.018 1.00 73.13 C ATOM 1331 CD1 LEU A 88 8.733 1.373 1.152 1.00 74.40 C ATOM 1332 CD2 LEU A 88 6.357 0.554 1.171 1.00 12.21 C ATOM 0 H LEU A 88 8.576 0.742 4.836 1.00 14.05 H new ATOM 0 HA LEU A 88 6.228 -0.450 3.808 1.00 74.41 H new ATOM 0 HB2 LEU A 88 9.140 -0.366 2.973 1.00 2.13 H new ATOM 0 HB3 LEU A 88 7.972 -1.309 2.069 1.00 2.13 H new ATOM 0 HG LEU A 88 7.339 1.559 2.774 1.00 73.13 H new ATOM 0 HD11 LEU A 88 8.393 2.277 0.646 1.00 74.40 H new ATOM 0 HD12 LEU A 88 9.592 1.610 1.780 1.00 74.40 H new ATOM 0 HD13 LEU A 88 9.021 0.628 0.410 1.00 74.40 H new ATOM 0 HD21 LEU A 88 6.048 1.476 0.678 1.00 12.21 H new ATOM 0 HD22 LEU A 88 6.582 -0.202 0.418 1.00 12.21 H new ATOM 0 HD23 LEU A 88 5.551 0.198 1.813 1.00 12.21 H new ATOM 1344 N TYR A 89 8.457 -2.569 5.018 1.00 51.41 N ATOM 1345 CA TYR A 89 8.622 -3.932 5.502 1.00 34.54 C ATOM 1346 C TYR A 89 7.655 -4.267 6.631 1.00 71.21 C ATOM 1347 O TYR A 89 7.231 -5.416 6.701 1.00 62.52 O ATOM 1348 CB TYR A 89 10.076 -4.171 5.895 1.00 55.43 C ATOM 1349 CG TYR A 89 10.895 -4.870 4.822 1.00 0.41 C ATOM 1350 CD1 TYR A 89 10.428 -6.025 4.153 1.00 45.24 C ATOM 1351 CD2 TYR A 89 12.168 -4.367 4.509 1.00 32.22 C ATOM 1352 CE1 TYR A 89 11.248 -6.663 3.221 1.00 23.21 C ATOM 1353 CE2 TYR A 89 13.010 -5.048 3.614 1.00 42.32 C ATOM 1354 CZ TYR A 89 12.564 -6.229 2.999 1.00 1.41 C ATOM 1355 OH TYR A 89 13.401 -6.976 2.237 1.00 4.22 O ATOM 0 H TYR A 89 9.276 -1.978 5.160 1.00 51.41 H new ATOM 0 HA TYR A 89 8.371 -4.614 4.690 1.00 34.54 H new ATOM 0 HB2 TYR A 89 10.542 -3.213 6.128 1.00 55.43 H new ATOM 0 HB3 TYR A 89 10.103 -4.769 6.806 1.00 55.43 H new ATOM 0 HD1 TYR A 89 9.442 -6.412 4.362 1.00 45.24 H new ATOM 0 HD2 TYR A 89 12.504 -3.446 4.962 1.00 32.22 H new ATOM 0 HE1 TYR A 89 10.864 -7.504 2.662 1.00 23.21 H new ATOM 0 HE2 TYR A 89 13.997 -4.665 3.400 1.00 42.32 H new ATOM 0 HH TYR A 89 13.377 -7.907 2.541 1.00 4.22 H new ATOM 1365 N GLU A 90 7.257 -3.294 7.453 1.00 33.11 N ATOM 1366 CA GLU A 90 6.284 -3.501 8.517 1.00 2.43 C ATOM 1367 C GLU A 90 4.980 -3.984 7.879 1.00 15.05 C ATOM 1368 O GLU A 90 4.523 -5.088 8.162 1.00 31.14 O ATOM 1369 CB GLU A 90 6.142 -2.187 9.315 1.00 51.40 C ATOM 1370 CG GLU A 90 4.996 -2.143 10.345 1.00 41.33 C ATOM 1371 CD GLU A 90 5.465 -2.194 11.797 1.00 0.45 C ATOM 1372 OE1 GLU A 90 5.787 -3.295 12.302 1.00 72.30 O ATOM 1373 OE2 GLU A 90 5.463 -1.143 12.475 1.00 12.13 O ATOM 0 H GLU A 90 7.605 -2.337 7.395 1.00 33.11 H new ATOM 0 HA GLU A 90 6.596 -4.266 9.229 1.00 2.43 H new ATOM 0 HB2 GLU A 90 7.080 -1.999 9.837 1.00 51.40 H new ATOM 0 HB3 GLU A 90 6.000 -1.369 8.608 1.00 51.40 H new ATOM 0 HG2 GLU A 90 4.418 -1.231 10.192 1.00 41.33 H new ATOM 0 HG3 GLU A 90 4.324 -2.981 10.161 1.00 41.33 H new ATOM 1380 N LEU A 91 4.417 -3.197 6.960 1.00 11.22 N ATOM 1381 CA LEU A 91 3.162 -3.505 6.272 1.00 31.22 C ATOM 1382 C LEU A 91 3.242 -4.862 5.549 1.00 62.51 C ATOM 1383 O LEU A 91 2.246 -5.581 5.496 1.00 14.25 O ATOM 1384 CB LEU A 91 2.851 -2.387 5.253 1.00 12.02 C ATOM 1385 CG LEU A 91 2.886 -0.921 5.745 1.00 74.21 C ATOM 1386 CD1 LEU A 91 3.079 0.018 4.551 1.00 12.23 C ATOM 1387 CD2 LEU A 91 1.612 -0.512 6.474 1.00 3.25 C ATOM 0 H LEU A 91 4.829 -2.311 6.668 1.00 11.22 H new ATOM 0 HA LEU A 91 2.366 -3.565 7.014 1.00 31.22 H new ATOM 0 HB2 LEU A 91 3.560 -2.479 4.430 1.00 12.02 H new ATOM 0 HB3 LEU A 91 1.859 -2.577 4.842 1.00 12.02 H new ATOM 0 HG LEU A 91 3.716 -0.846 6.447 1.00 74.21 H new ATOM 0 HD11 LEU A 91 3.103 1.050 4.900 1.00 12.23 H new ATOM 0 HD12 LEU A 91 4.018 -0.218 4.051 1.00 12.23 H new ATOM 0 HD13 LEU A 91 2.253 -0.109 3.851 1.00 12.23 H new ATOM 0 HD21 LEU A 91 1.694 0.526 6.796 1.00 3.25 H new ATOM 0 HD22 LEU A 91 0.759 -0.617 5.803 1.00 3.25 H new ATOM 0 HD23 LEU A 91 1.470 -1.152 7.345 1.00 3.25 H new ATOM 1399 N ALA A 92 4.414 -5.240 5.019 1.00 71.34 N ATOM 1400 CA ALA A 92 4.643 -6.513 4.332 1.00 63.24 C ATOM 1401 C ALA A 92 4.300 -7.706 5.237 1.00 3.21 C ATOM 1402 O ALA A 92 3.606 -8.623 4.797 1.00 44.40 O ATOM 1403 CB ALA A 92 6.091 -6.569 3.813 1.00 65.21 C ATOM 0 H ALA A 92 5.247 -4.653 5.059 1.00 71.34 H new ATOM 0 HA ALA A 92 3.975 -6.580 3.473 1.00 63.24 H new ATOM 0 HB1 ALA A 92 6.258 -7.517 3.302 1.00 65.21 H new ATOM 0 HB2 ALA A 92 6.260 -5.747 3.117 1.00 65.21 H new ATOM 0 HB3 ALA A 92 6.782 -6.482 4.652 1.00 65.21 H new ATOM 1409 N THR A 93 4.757 -7.708 6.491 1.00 74.30 N ATOM 1410 CA THR A 93 4.499 -8.781 7.460 1.00 22.15 C ATOM 1411 C THR A 93 3.194 -8.552 8.253 1.00 11.41 C ATOM 1412 O THR A 93 2.979 -9.196 9.280 1.00 30.21 O ATOM 1413 CB THR A 93 5.750 -8.975 8.344 1.00 10.35 C ATOM 1414 OG1 THR A 93 5.634 -10.091 9.195 1.00 11.23 O ATOM 1415 CG2 THR A 93 6.107 -7.733 9.143 1.00 44.32 C ATOM 0 H THR A 93 5.327 -6.952 6.870 1.00 74.30 H new ATOM 0 HA THR A 93 4.324 -9.717 6.930 1.00 22.15 H new ATOM 0 HB THR A 93 6.569 -9.163 7.650 1.00 10.35 H new ATOM 0 HG1 THR A 93 4.691 -10.233 9.421 1.00 11.23 H new ATOM 0 HG21 THR A 93 6.994 -7.930 9.745 1.00 44.32 H new ATOM 0 HG22 THR A 93 6.307 -6.907 8.461 1.00 44.32 H new ATOM 0 HG23 THR A 93 5.276 -7.470 9.797 1.00 44.32 H new ATOM 1423 N ARG A 94 2.339 -7.615 7.827 1.00 41.10 N ATOM 1424 CA ARG A 94 1.154 -7.147 8.558 1.00 72.52 C ATOM 1425 C ARG A 94 -0.097 -7.106 7.678 1.00 21.23 C ATOM 1426 O ARG A 94 -1.152 -6.650 8.120 1.00 11.25 O ATOM 1427 CB ARG A 94 1.484 -5.744 9.085 1.00 71.40 C ATOM 1428 CG ARG A 94 2.467 -5.742 10.256 1.00 75.30 C ATOM 1429 CD ARG A 94 1.716 -6.059 11.541 1.00 23.52 C ATOM 1430 NE ARG A 94 0.904 -4.937 12.018 1.00 24.33 N ATOM 1431 CZ ARG A 94 1.361 -3.832 12.615 1.00 61.10 C ATOM 1432 NH1 ARG A 94 2.666 -3.630 12.764 1.00 60.53 N ATOM 1433 NH2 ARG A 94 0.516 -2.913 13.051 1.00 11.04 N ATOM 0 H ARG A 94 2.457 -7.144 6.930 1.00 41.10 H new ATOM 0 HA ARG A 94 0.927 -7.839 9.369 1.00 72.52 H new ATOM 0 HB2 ARG A 94 1.900 -5.149 8.272 1.00 71.40 H new ATOM 0 HB3 ARG A 94 0.560 -5.256 9.397 1.00 71.40 H new ATOM 0 HG2 ARG A 94 3.252 -6.479 10.088 1.00 75.30 H new ATOM 0 HG3 ARG A 94 2.954 -4.770 10.336 1.00 75.30 H new ATOM 0 HD2 ARG A 94 1.072 -6.923 11.376 1.00 23.52 H new ATOM 0 HD3 ARG A 94 2.431 -6.338 12.315 1.00 23.52 H new ATOM 0 HE ARG A 94 -0.105 -5.005 11.882 1.00 24.33 H new ATOM 0 HH11 ARG A 94 3.332 -4.322 12.421 1.00 60.53 H new ATOM 0 HH12 ARG A 94 3.002 -2.782 13.221 1.00 60.53 H new ATOM 0 HH21 ARG A 94 -0.488 -3.046 12.932 1.00 11.04 H new ATOM 0 HH22 ARG A 94 0.868 -2.071 13.506 1.00 11.04 H new ATOM 1447 N LYS A 95 0.018 -7.501 6.408 1.00 45.22 N ATOM 1448 CA LYS A 95 -0.969 -7.200 5.378 1.00 52.01 C ATOM 1449 C LYS A 95 -2.349 -7.744 5.713 1.00 63.11 C ATOM 1450 O LYS A 95 -3.354 -7.115 5.415 1.00 74.24 O ATOM 1451 CB LYS A 95 -0.476 -7.775 4.049 1.00 3.21 C ATOM 1452 CG LYS A 95 -1.495 -7.593 2.913 1.00 22.54 C ATOM 1453 CD LYS A 95 -0.863 -7.850 1.543 1.00 13.13 C ATOM 1454 CE LYS A 95 -1.587 -8.913 0.715 1.00 54.31 C ATOM 1455 NZ LYS A 95 -3.018 -8.625 0.495 1.00 32.22 N ATOM 0 H LYS A 95 0.810 -8.045 6.066 1.00 45.22 H new ATOM 0 HA LYS A 95 -1.075 -6.117 5.311 1.00 52.01 H new ATOM 0 HB2 LYS A 95 0.461 -7.291 3.773 1.00 3.21 H new ATOM 0 HB3 LYS A 95 -0.262 -8.836 4.174 1.00 3.21 H new ATOM 0 HG2 LYS A 95 -2.332 -8.275 3.062 1.00 22.54 H new ATOM 0 HG3 LYS A 95 -1.899 -6.581 2.944 1.00 22.54 H new ATOM 0 HD2 LYS A 95 -0.845 -6.916 0.981 1.00 13.13 H new ATOM 0 HD3 LYS A 95 0.173 -8.157 1.684 1.00 13.13 H new ATOM 0 HE2 LYS A 95 -1.092 -9.006 -0.252 1.00 54.31 H new ATOM 0 HE3 LYS A 95 -1.493 -9.877 1.216 1.00 54.31 H new ATOM 0 HZ1 LYS A 95 -3.377 -9.220 -0.279 1.00 32.22 H new ATOM 0 HZ2 LYS A 95 -3.551 -8.829 1.365 1.00 32.22 H new ATOM 0 HZ3 LYS A 95 -3.136 -7.623 0.244 1.00 32.22 H new ATOM 1469 N ASP A 96 -2.382 -8.933 6.277 1.00 74.42 N ATOM 1470 CA ASP A 96 -3.488 -9.636 6.872 1.00 70.30 C ATOM 1471 C ASP A 96 -4.313 -8.721 7.778 1.00 30.41 C ATOM 1472 O ASP A 96 -5.464 -8.433 7.441 1.00 2.15 O ATOM 1473 CB ASP A 96 -2.887 -10.841 7.605 1.00 24.53 C ATOM 1474 CG ASP A 96 -1.533 -10.550 8.257 1.00 74.21 C ATOM 1475 OD1 ASP A 96 -0.523 -10.746 7.538 1.00 41.04 O ATOM 1476 OD2 ASP A 96 -1.500 -9.969 9.359 1.00 73.32 O ATOM 0 H ASP A 96 -1.530 -9.491 6.333 1.00 74.42 H new ATOM 0 HA ASP A 96 -4.198 -9.980 6.120 1.00 70.30 H new ATOM 0 HB2 ASP A 96 -3.586 -11.174 8.372 1.00 24.53 H new ATOM 0 HB3 ASP A 96 -2.772 -11.664 6.900 1.00 24.53 H new ATOM 1481 N GLN A 97 -3.774 -8.257 8.906 1.00 22.55 N ATOM 1482 CA GLN A 97 -4.479 -7.365 9.825 1.00 62.20 C ATOM 1483 C GLN A 97 -4.890 -6.074 9.106 1.00 2.15 C ATOM 1484 O GLN A 97 -6.051 -5.670 9.136 1.00 31.25 O ATOM 1485 CB GLN A 97 -3.564 -7.087 11.033 1.00 3.04 C ATOM 1486 CG GLN A 97 -4.170 -6.177 12.123 1.00 71.52 C ATOM 1487 CD GLN A 97 -5.050 -6.907 13.140 1.00 41.04 C ATOM 1488 OE1 GLN A 97 -6.100 -7.579 12.709 1.00 60.43 O flip ATOM 1489 NE2 GLN A 97 -4.825 -6.849 14.345 1.00 40.10 N flip ATOM 0 H GLN A 97 -2.829 -8.492 9.209 1.00 22.55 H new ATOM 0 HA GLN A 97 -5.397 -7.833 10.181 1.00 62.20 H new ATOM 0 HB2 GLN A 97 -3.291 -8.039 11.488 1.00 3.04 H new ATOM 0 HB3 GLN A 97 -2.642 -6.630 10.672 1.00 3.04 H new ATOM 0 HG2 GLN A 97 -3.359 -5.678 12.654 1.00 71.52 H new ATOM 0 HG3 GLN A 97 -4.762 -5.399 11.641 1.00 71.52 H new ATOM 0 HE21 GLN A 97 -4.016 -6.332 14.688 1.00 40.10 H new ATOM 0 HE22 GLN A 97 -5.447 -7.318 15.003 1.00 40.10 H new ATOM 1498 N LEU A 98 -3.931 -5.433 8.443 1.00 35.33 N ATOM 1499 CA LEU A 98 -4.058 -4.100 7.868 1.00 4.13 C ATOM 1500 C LEU A 98 -5.100 -4.036 6.765 1.00 44.10 C ATOM 1501 O LEU A 98 -5.781 -3.025 6.603 1.00 31.54 O ATOM 1502 CB LEU A 98 -2.692 -3.717 7.293 1.00 73.43 C ATOM 1503 CG LEU A 98 -1.754 -3.035 8.301 1.00 31.34 C ATOM 1504 CD1 LEU A 98 -1.773 -3.605 9.728 1.00 63.22 C ATOM 1505 CD2 LEU A 98 -0.336 -3.129 7.739 1.00 41.01 C ATOM 0 H LEU A 98 -3.011 -5.844 8.287 1.00 35.33 H new ATOM 0 HA LEU A 98 -4.382 -3.413 8.649 1.00 4.13 H new ATOM 0 HB2 LEU A 98 -2.206 -4.615 6.911 1.00 73.43 H new ATOM 0 HB3 LEU A 98 -2.842 -3.050 6.444 1.00 73.43 H new ATOM 0 HG LEU A 98 -2.111 -2.011 8.412 1.00 31.34 H new ATOM 0 HD11 LEU A 98 -1.074 -3.048 10.352 1.00 63.22 H new ATOM 0 HD12 LEU A 98 -2.778 -3.517 10.141 1.00 63.22 H new ATOM 0 HD13 LEU A 98 -1.481 -4.655 9.704 1.00 63.22 H new ATOM 0 HD21 LEU A 98 0.361 -2.654 8.429 1.00 41.01 H new ATOM 0 HD22 LEU A 98 -0.064 -4.177 7.612 1.00 41.01 H new ATOM 0 HD23 LEU A 98 -0.293 -2.623 6.774 1.00 41.01 H new ATOM 1517 N TRP A 99 -5.203 -5.086 5.958 1.00 24.42 N ATOM 1518 CA TRP A 99 -6.159 -5.126 4.869 1.00 14.01 C ATOM 1519 C TRP A 99 -7.577 -5.243 5.407 1.00 43.21 C ATOM 1520 O TRP A 99 -8.456 -4.504 4.962 1.00 3.43 O ATOM 1521 CB TRP A 99 -5.835 -6.260 3.896 1.00 32.33 C ATOM 1522 CG TRP A 99 -6.685 -6.237 2.672 1.00 65.41 C ATOM 1523 CD1 TRP A 99 -7.495 -7.226 2.229 1.00 44.23 C ATOM 1524 CD2 TRP A 99 -6.851 -5.128 1.747 1.00 53.40 C ATOM 1525 NE1 TRP A 99 -8.112 -6.821 1.062 1.00 12.41 N ATOM 1526 CE2 TRP A 99 -7.766 -5.528 0.734 1.00 64.13 C ATOM 1527 CE3 TRP A 99 -6.308 -3.825 1.659 1.00 24.22 C ATOM 1528 CZ2 TRP A 99 -8.106 -4.675 -0.319 1.00 30.12 C ATOM 1529 CZ3 TRP A 99 -6.670 -2.950 0.623 1.00 72.21 C ATOM 1530 CH2 TRP A 99 -7.559 -3.388 -0.370 1.00 2.42 C ATOM 0 H TRP A 99 -4.629 -5.925 6.043 1.00 24.42 H new ATOM 0 HA TRP A 99 -6.087 -4.190 4.315 1.00 14.01 H new ATOM 0 HB2 TRP A 99 -4.787 -6.193 3.605 1.00 32.33 H new ATOM 0 HB3 TRP A 99 -5.965 -7.216 4.404 1.00 32.33 H new ATOM 0 HD1 TRP A 99 -7.637 -8.182 2.712 1.00 44.23 H new ATOM 0 HE1 TRP A 99 -8.743 -7.404 0.513 1.00 12.41 H new ATOM 0 HE3 TRP A 99 -5.600 -3.496 2.405 1.00 24.22 H new ATOM 0 HZ2 TRP A 99 -8.787 -5.007 -1.089 1.00 30.12 H new ATOM 0 HZ3 TRP A 99 -6.268 -1.948 0.591 1.00 72.21 H new ATOM 0 HH2 TRP A 99 -7.824 -2.726 -1.181 1.00 2.42 H new ATOM 1541 N ALA A 100 -7.788 -6.127 6.384 1.00 52.21 N ATOM 1542 CA ALA A 100 -9.067 -6.257 7.057 1.00 12.33 C ATOM 1543 C ALA A 100 -9.467 -4.928 7.701 1.00 11.05 C ATOM 1544 O ALA A 100 -10.618 -4.508 7.584 1.00 52.13 O ATOM 1545 CB ALA A 100 -8.944 -7.353 8.109 1.00 41.14 C ATOM 0 H ALA A 100 -7.073 -6.769 6.726 1.00 52.21 H new ATOM 0 HA ALA A 100 -9.844 -6.522 6.340 1.00 12.33 H new ATOM 0 HB1 ALA A 100 -9.896 -7.468 8.628 1.00 41.14 H new ATOM 0 HB2 ALA A 100 -8.679 -8.293 7.626 1.00 41.14 H new ATOM 0 HB3 ALA A 100 -8.170 -7.083 8.827 1.00 41.14 H new ATOM 1551 N ASP A 101 -8.517 -4.249 8.343 1.00 53.40 N ATOM 1552 CA ASP A 101 -8.712 -2.916 8.910 1.00 40.10 C ATOM 1553 C ASP A 101 -9.135 -1.943 7.813 1.00 64.54 C ATOM 1554 O ASP A 101 -10.132 -1.242 7.948 1.00 71.42 O ATOM 1555 CB ASP A 101 -7.428 -2.418 9.594 1.00 3.12 C ATOM 1556 CG ASP A 101 -7.226 -2.933 11.016 1.00 72.24 C ATOM 1557 OD1 ASP A 101 -7.973 -3.834 11.462 1.00 14.21 O ATOM 1558 OD2 ASP A 101 -6.304 -2.407 11.687 1.00 33.53 O ATOM 0 H ASP A 101 -7.576 -4.616 8.486 1.00 53.40 H new ATOM 0 HA ASP A 101 -9.498 -2.972 9.663 1.00 40.10 H new ATOM 0 HB2 ASP A 101 -6.571 -2.714 8.989 1.00 3.12 H new ATOM 0 HB3 ASP A 101 -7.442 -1.328 9.615 1.00 3.12 H new ATOM 1563 N TYR A 102 -8.415 -1.903 6.691 1.00 35.53 N ATOM 1564 CA TYR A 102 -8.715 -0.946 5.640 1.00 63.22 C ATOM 1565 C TYR A 102 -10.017 -1.222 4.896 1.00 4.31 C ATOM 1566 O TYR A 102 -10.580 -0.301 4.294 1.00 60.13 O ATOM 1567 CB TYR A 102 -7.547 -0.852 4.658 1.00 55.42 C ATOM 1568 CG TYR A 102 -6.652 0.325 4.972 1.00 0.13 C ATOM 1569 CD1 TYR A 102 -7.201 1.619 5.088 1.00 4.14 C ATOM 1570 CD2 TYR A 102 -5.285 0.126 5.221 1.00 23.12 C ATOM 1571 CE1 TYR A 102 -6.386 2.708 5.429 1.00 33.51 C ATOM 1572 CE2 TYR A 102 -4.472 1.218 5.558 1.00 12.22 C ATOM 1573 CZ TYR A 102 -5.012 2.519 5.656 1.00 61.24 C ATOM 1574 OH TYR A 102 -4.215 3.592 5.895 1.00 11.34 O ATOM 0 H TYR A 102 -7.627 -2.520 6.493 1.00 35.53 H new ATOM 0 HA TYR A 102 -8.858 0.012 6.141 1.00 63.22 H new ATOM 0 HB2 TYR A 102 -6.965 -1.773 4.694 1.00 55.42 H new ATOM 0 HB3 TYR A 102 -7.931 -0.758 3.642 1.00 55.42 H new ATOM 0 HD1 TYR A 102 -8.256 1.772 4.913 1.00 4.14 H new ATOM 0 HD2 TYR A 102 -4.861 -0.865 5.153 1.00 23.12 H new ATOM 0 HE1 TYR A 102 -6.816 3.695 5.517 1.00 33.51 H new ATOM 0 HE2 TYR A 102 -3.420 1.062 5.745 1.00 12.22 H new ATOM 0 HH TYR A 102 -3.441 3.313 6.428 1.00 11.34 H new ATOM 1584 N LEU A 103 -10.479 -2.467 4.856 1.00 33.40 N ATOM 1585 CA LEU A 103 -11.826 -2.810 4.430 1.00 43.14 C ATOM 1586 C LEU A 103 -12.849 -2.254 5.404 1.00 61.52 C ATOM 1587 O LEU A 103 -13.851 -1.701 4.962 1.00 3.40 O ATOM 1588 CB LEU A 103 -11.986 -4.332 4.345 1.00 61.43 C ATOM 1589 CG LEU A 103 -11.259 -4.929 3.130 1.00 61.31 C ATOM 1590 CD1 LEU A 103 -11.109 -6.442 3.255 1.00 10.12 C ATOM 1591 CD2 LEU A 103 -12.000 -4.595 1.841 1.00 54.03 C ATOM 0 H LEU A 103 -9.918 -3.276 5.123 1.00 33.40 H new ATOM 0 HA LEU A 103 -11.992 -2.372 3.446 1.00 43.14 H new ATOM 0 HB2 LEU A 103 -11.599 -4.787 5.257 1.00 61.43 H new ATOM 0 HB3 LEU A 103 -13.046 -4.581 4.290 1.00 61.43 H new ATOM 0 HG LEU A 103 -10.264 -4.485 3.099 1.00 61.31 H new ATOM 0 HD11 LEU A 103 -10.591 -6.830 2.378 1.00 10.12 H new ATOM 0 HD12 LEU A 103 -10.534 -6.678 4.150 1.00 10.12 H new ATOM 0 HD13 LEU A 103 -12.095 -6.901 3.326 1.00 10.12 H new ATOM 0 HD21 LEU A 103 -11.468 -5.027 0.993 1.00 54.03 H new ATOM 0 HD22 LEU A 103 -13.009 -5.006 1.884 1.00 54.03 H new ATOM 0 HD23 LEU A 103 -12.054 -3.513 1.722 1.00 54.03 H new ATOM 1603 N ALA A 104 -12.617 -2.403 6.709 1.00 33.51 N ATOM 1604 CA ALA A 104 -13.505 -1.889 7.740 1.00 54.43 C ATOM 1605 C ALA A 104 -13.649 -0.379 7.573 1.00 64.44 C ATOM 1606 O ALA A 104 -14.765 0.113 7.461 1.00 35.12 O ATOM 1607 CB ALA A 104 -12.982 -2.291 9.117 1.00 55.01 C ATOM 0 H ALA A 104 -11.799 -2.889 7.078 1.00 33.51 H new ATOM 0 HA ALA A 104 -14.501 -2.321 7.643 1.00 54.43 H new ATOM 0 HB1 ALA A 104 -13.650 -1.904 9.887 1.00 55.01 H new ATOM 0 HB2 ALA A 104 -12.939 -3.378 9.187 1.00 55.01 H new ATOM 0 HB3 ALA A 104 -11.984 -1.878 9.262 1.00 55.01 H new ATOM 1613 N GLU A 105 -12.532 0.330 7.408 1.00 53.15 N ATOM 1614 CA GLU A 105 -12.518 1.773 7.219 1.00 40.41 C ATOM 1615 C GLU A 105 -13.370 2.197 6.029 1.00 22.34 C ATOM 1616 O GLU A 105 -14.151 3.136 6.124 1.00 33.31 O ATOM 1617 CB GLU A 105 -11.068 2.248 7.060 1.00 60.31 C ATOM 1618 CG GLU A 105 -10.397 2.476 8.419 1.00 43.04 C ATOM 1619 CD GLU A 105 -10.339 3.956 8.804 1.00 31.54 C ATOM 1620 OE1 GLU A 105 -11.385 4.526 9.177 1.00 14.43 O ATOM 1621 OE2 GLU A 105 -9.236 4.548 8.742 1.00 23.22 O ATOM 0 H GLU A 105 -11.603 -0.091 7.402 1.00 53.15 H new ATOM 0 HA GLU A 105 -12.957 2.243 8.099 1.00 40.41 H new ATOM 0 HB2 GLU A 105 -10.502 1.508 6.494 1.00 60.31 H new ATOM 0 HB3 GLU A 105 -11.049 3.173 6.484 1.00 60.31 H new ATOM 0 HG2 GLU A 105 -10.942 1.926 9.186 1.00 43.04 H new ATOM 0 HG3 GLU A 105 -9.385 2.071 8.393 1.00 43.04 H new ATOM 1628 N LEU A 106 -13.247 1.506 4.898 1.00 34.31 N ATOM 1629 CA LEU A 106 -13.992 1.814 3.693 1.00 40.33 C ATOM 1630 C LEU A 106 -15.479 1.536 3.902 1.00 63.22 C ATOM 1631 O LEU A 106 -16.329 2.365 3.567 1.00 40.13 O ATOM 1632 CB LEU A 106 -13.301 1.010 2.570 1.00 24.24 C ATOM 1633 CG LEU A 106 -13.860 1.166 1.148 1.00 43.21 C ATOM 1634 CD1 LEU A 106 -14.964 0.137 0.921 1.00 61.23 C ATOM 1635 CD2 LEU A 106 -14.280 2.598 0.910 1.00 21.34 C ATOM 0 H LEU A 106 -12.619 0.709 4.798 1.00 34.31 H new ATOM 0 HA LEU A 106 -13.978 2.868 3.416 1.00 40.33 H new ATOM 0 HB2 LEU A 106 -12.248 1.292 2.552 1.00 24.24 H new ATOM 0 HB3 LEU A 106 -13.344 -0.046 2.836 1.00 24.24 H new ATOM 0 HG LEU A 106 -13.093 0.959 0.402 1.00 43.21 H new ATOM 0 HD11 LEU A 106 -15.362 0.247 -0.088 1.00 61.23 H new ATOM 0 HD12 LEU A 106 -14.557 -0.867 1.043 1.00 61.23 H new ATOM 0 HD13 LEU A 106 -15.763 0.295 1.645 1.00 61.23 H new ATOM 0 HD21 LEU A 106 -14.675 2.698 -0.101 1.00 21.34 H new ATOM 0 HD22 LEU A 106 -15.050 2.876 1.630 1.00 21.34 H new ATOM 0 HD23 LEU A 106 -13.418 3.255 1.030 1.00 21.34 H new ATOM 1647 N ALA A 107 -15.784 0.406 4.529 1.00 62.24 N ATOM 1648 CA ALA A 107 -17.150 -0.009 4.798 1.00 72.52 C ATOM 1649 C ALA A 107 -17.832 1.003 5.730 1.00 62.11 C ATOM 1650 O ALA A 107 -18.971 1.416 5.486 1.00 33.32 O ATOM 1651 CB ALA A 107 -17.134 -1.431 5.379 1.00 40.03 C ATOM 0 H ALA A 107 -15.082 -0.252 4.867 1.00 62.24 H new ATOM 0 HA ALA A 107 -17.733 -0.031 3.877 1.00 72.52 H new ATOM 0 HB1 ALA A 107 -18.155 -1.752 5.584 1.00 40.03 H new ATOM 0 HB2 ALA A 107 -16.677 -2.112 4.661 1.00 40.03 H new ATOM 0 HB3 ALA A 107 -16.558 -1.439 6.304 1.00 40.03 H new ATOM 1657 N SER A 108 -17.136 1.413 6.791 1.00 52.31 N ATOM 1658 CA SER A 108 -17.618 2.303 7.835 1.00 24.23 C ATOM 1659 C SER A 108 -17.669 3.758 7.352 1.00 1.03 C ATOM 1660 O SER A 108 -18.568 4.493 7.758 1.00 54.33 O ATOM 1661 CB SER A 108 -16.716 2.123 9.064 1.00 60.52 C ATOM 1662 OG SER A 108 -17.394 2.460 10.263 1.00 60.54 O ATOM 0 H SER A 108 -16.173 1.116 6.949 1.00 52.31 H new ATOM 0 HA SER A 108 -18.643 2.049 8.104 1.00 24.23 H new ATOM 0 HB2 SER A 108 -16.374 1.089 9.117 1.00 60.52 H new ATOM 0 HB3 SER A 108 -15.829 2.747 8.959 1.00 60.52 H new ATOM 0 HG SER A 108 -16.792 2.333 11.026 1.00 60.54 H new ATOM 1668 N ALA A 109 -16.782 4.175 6.442 1.00 13.01 N ATOM 1669 CA ALA A 109 -16.864 5.471 5.770 1.00 4.04 C ATOM 1670 C ALA A 109 -18.136 5.610 4.930 1.00 15.04 C ATOM 1671 O ALA A 109 -18.542 6.729 4.596 1.00 63.35 O ATOM 1672 CB ALA A 109 -15.642 5.644 4.868 1.00 2.01 C ATOM 0 H ALA A 109 -15.981 3.615 6.150 1.00 13.01 H new ATOM 0 HA ALA A 109 -16.892 6.243 6.539 1.00 4.04 H new ATOM 0 HB1 ALA A 109 -15.696 6.609 4.363 1.00 2.01 H new ATOM 0 HB2 ALA A 109 -14.735 5.600 5.471 1.00 2.01 H new ATOM 0 HB3 ALA A 109 -15.622 4.846 4.125 1.00 2.01 H new ATOM 1678 N GLY A 110 -18.738 4.476 4.555 1.00 64.14 N ATOM 1679 CA GLY A 110 -19.791 4.408 3.563 1.00 43.15 C ATOM 1680 C GLY A 110 -19.283 4.957 2.237 1.00 42.43 C ATOM 1681 O GLY A 110 -19.943 5.811 1.639 1.00 54.24 O ATOM 0 H GLY A 110 -18.494 3.566 4.947 1.00 64.14 H new ATOM 0 HA2 GLY A 110 -20.120 3.376 3.438 1.00 43.15 H new ATOM 0 HA3 GLY A 110 -20.656 4.981 3.897 1.00 43.15 H new ATOM 1685 N LYS A 111 -18.106 4.510 1.788 1.00 73.51 N ATOM 1686 CA LYS A 111 -17.634 4.740 0.424 1.00 53.03 C ATOM 1687 C LYS A 111 -17.344 3.374 -0.186 1.00 42.41 C ATOM 1688 O LYS A 111 -17.529 2.355 0.481 1.00 21.41 O ATOM 1689 CB LYS A 111 -16.390 5.623 0.419 1.00 73.15 C ATOM 1690 CG LYS A 111 -16.544 6.975 1.132 1.00 72.21 C ATOM 1691 CD LYS A 111 -17.395 7.927 0.286 1.00 0.01 C ATOM 1692 CE LYS A 111 -17.351 9.337 0.870 1.00 52.01 C ATOM 1693 NZ LYS A 111 -18.027 10.300 -0.019 1.00 40.15 N ATOM 0 H LYS A 111 -17.454 3.977 2.364 1.00 73.51 H new ATOM 0 HA LYS A 111 -18.389 5.265 -0.161 1.00 53.03 H new ATOM 0 HB2 LYS A 111 -15.573 5.074 0.887 1.00 73.15 H new ATOM 0 HB3 LYS A 111 -16.099 5.807 -0.615 1.00 73.15 H new ATOM 0 HG2 LYS A 111 -17.009 6.829 2.107 1.00 72.21 H new ATOM 0 HG3 LYS A 111 -15.562 7.414 1.310 1.00 72.21 H new ATOM 0 HD2 LYS A 111 -17.028 7.939 -0.740 1.00 0.01 H new ATOM 0 HD3 LYS A 111 -18.425 7.572 0.252 1.00 0.01 H new ATOM 0 HE2 LYS A 111 -17.829 9.344 1.849 1.00 52.01 H new ATOM 0 HE3 LYS A 111 -16.315 9.640 1.019 1.00 52.01 H new ATOM 0 HZ1 LYS A 111 -17.983 11.250 0.401 1.00 40.15 H new ATOM 0 HZ2 LYS A 111 -17.554 10.309 -0.945 1.00 40.15 H new ATOM 0 HZ3 LYS A 111 -19.022 10.021 -0.141 1.00 40.15 H new ATOM 1707 N SER A 112 -16.801 3.348 -1.399 1.00 72.15 N ATOM 1708 CA SER A 112 -16.507 2.100 -2.076 1.00 4.33 C ATOM 1709 C SER A 112 -15.143 2.077 -2.713 1.00 54.31 C ATOM 1710 O SER A 112 -14.593 3.116 -3.055 1.00 22.42 O ATOM 1711 CB SER A 112 -17.556 1.891 -3.138 1.00 55.05 C ATOM 1712 OG SER A 112 -18.849 1.810 -2.577 1.00 20.20 O ATOM 0 H SER A 112 -16.557 4.183 -1.931 1.00 72.15 H new ATOM 0 HA SER A 112 -16.515 1.304 -1.332 1.00 4.33 H new ATOM 0 HB2 SER A 112 -17.519 2.712 -3.854 1.00 55.05 H new ATOM 0 HB3 SER A 112 -17.340 0.976 -3.690 1.00 55.05 H new ATOM 0 HG SER A 112 -19.507 1.676 -3.290 1.00 20.20 H new ATOM 1718 N ARG A 113 -14.562 0.890 -2.867 1.00 22.51 N ATOM 1719 CA ARG A 113 -13.319 0.772 -3.612 1.00 33.23 C ATOM 1720 C ARG A 113 -13.606 0.992 -5.087 1.00 63.15 C ATOM 1721 O ARG A 113 -12.807 1.637 -5.767 1.00 2.20 O ATOM 1722 CB ARG A 113 -12.687 -0.603 -3.397 1.00 25.51 C ATOM 1723 CG ARG A 113 -12.226 -0.842 -1.956 1.00 54.04 C ATOM 1724 CD ARG A 113 -10.981 -1.737 -1.963 1.00 71.44 C ATOM 1725 NE ARG A 113 -10.564 -2.159 -0.617 1.00 0.20 N ATOM 1726 CZ ARG A 113 -10.156 -1.392 0.404 1.00 15.04 C ATOM 1727 NH1 ARG A 113 -10.012 -0.077 0.262 1.00 33.43 N ATOM 1728 NH2 ARG A 113 -9.890 -1.942 1.581 1.00 11.34 N ATOM 0 H ARG A 113 -14.926 0.014 -2.493 1.00 22.51 H new ATOM 0 HA ARG A 113 -12.615 1.524 -3.257 1.00 33.23 H new ATOM 0 HB2 ARG A 113 -13.408 -1.373 -3.672 1.00 25.51 H new ATOM 0 HB3 ARG A 113 -11.834 -0.711 -4.066 1.00 25.51 H new ATOM 0 HG2 ARG A 113 -12.002 0.108 -1.472 1.00 54.04 H new ATOM 0 HG3 ARG A 113 -13.023 -1.313 -1.381 1.00 54.04 H new ATOM 0 HD2 ARG A 113 -11.180 -2.621 -2.569 1.00 71.44 H new ATOM 0 HD3 ARG A 113 -10.160 -1.202 -2.440 1.00 71.44 H new ATOM 0 HE ARG A 113 -10.588 -3.163 -0.438 1.00 0.20 H new ATOM 0 HH11 ARG A 113 -10.213 0.364 -0.635 1.00 33.43 H new ATOM 0 HH12 ARG A 113 -9.700 0.490 1.051 1.00 33.43 H new ATOM 0 HH21 ARG A 113 -9.996 -2.948 1.709 1.00 11.34 H new ATOM 0 HH22 ARG A 113 -9.580 -1.359 2.358 1.00 11.34 H new ATOM 1742 N ASP A 114 -14.688 0.417 -5.598 1.00 25.54 N ATOM 1743 CA ASP A 114 -15.026 0.577 -7.015 1.00 10.12 C ATOM 1744 C ASP A 114 -15.514 2.008 -7.230 1.00 54.12 C ATOM 1745 O ASP A 114 -15.988 2.642 -6.283 1.00 42.15 O ATOM 1746 CB ASP A 114 -16.077 -0.459 -7.434 1.00 43.34 C ATOM 1747 CG ASP A 114 -15.696 -1.335 -8.633 1.00 70.15 C ATOM 1748 OD1 ASP A 114 -14.590 -1.217 -9.209 1.00 63.35 O ATOM 1749 OD2 ASP A 114 -16.538 -2.183 -8.993 1.00 50.45 O ATOM 0 H ASP A 114 -15.341 -0.157 -5.065 1.00 25.54 H new ATOM 0 HA ASP A 114 -14.150 0.404 -7.641 1.00 10.12 H new ATOM 0 HB2 ASP A 114 -16.283 -1.108 -6.583 1.00 43.34 H new ATOM 0 HB3 ASP A 114 -17.005 0.064 -7.668 1.00 43.34 H new ATOM 1754 N PRO A 115 -15.401 2.554 -8.452 1.00 62.23 N ATOM 1755 CA PRO A 115 -15.765 3.938 -8.713 1.00 52.03 C ATOM 1756 C PRO A 115 -17.255 4.188 -8.457 1.00 61.25 C ATOM 1757 O PRO A 115 -17.626 5.271 -7.989 1.00 52.01 O ATOM 1758 CB PRO A 115 -15.352 4.206 -10.165 1.00 50.34 C ATOM 1759 CG PRO A 115 -15.254 2.820 -10.802 1.00 54.02 C ATOM 1760 CD PRO A 115 -14.903 1.900 -9.650 1.00 44.21 C ATOM 0 HA PRO A 115 -15.257 4.627 -8.039 1.00 52.03 H new ATOM 0 HB2 PRO A 115 -16.087 4.827 -10.678 1.00 50.34 H new ATOM 0 HB3 PRO A 115 -14.399 4.733 -10.215 1.00 50.34 H new ATOM 0 HG2 PRO A 115 -16.195 2.530 -11.270 1.00 54.02 H new ATOM 0 HG3 PRO A 115 -14.490 2.793 -11.579 1.00 54.02 H new ATOM 0 HD2 PRO A 115 -15.362 0.920 -9.779 1.00 44.21 H new ATOM 0 HD3 PRO A 115 -13.826 1.743 -9.590 1.00 44.21 H new