USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1025 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 18 SER OG : rot -110:sc= -0.178 USER MOD Set 1.2: A 87 MET CE :methyl -172:sc= -0.403 (180deg=-0.117) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.182 K(o=0.36,f=-1) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -152:sc= 0.181 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.123 (180deg=-0.636) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.581) USER MOD Single : A 10 GLN : amide:sc= -2.77 K(o=-2.8,f=-5!) USER MOD Single : A 11 THR OG1 : rot -163:sc= -0.753 USER MOD Single : A 13 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.1!) USER MOD Single : A 21 GLN : amide:sc=-0.00187 K(o=-0.0019,f=-1.3!) USER MOD Single : A 27 THR OG1 : rot -85:sc= 0.5 USER MOD Single : A 29 SER OG : rot -37:sc= 0.86 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 63:sc= -0.575 USER MOD Single : A 39 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.029) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 57 SER OG : rot 76:sc= 0.494 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc=-0.00277 (180deg=-0.0606) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.14) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.211) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 83:sc= 0.742 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.0553 (180deg=-0.405) USER MOD Single : A 82 GLN : amide:sc= -0.375 K(o=-0.37,f=-2) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 91:sc= 0.0313 USER MOD Single : A 88 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.634 USER MOD Single : A 91 HIS : no HD1:sc=-0.000677 X(o=-0.00068,f=-0.33) USER MOD Single : A 94 LYS NZ :NH3+ -133:sc= -0.173 (180deg=-2.45!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0608 K(o=-0.061,f=-0.87) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.0129 (180deg=-0.142) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.944 -6.680 -2.208 1.00 64.22 N ATOM 2 CA MET A 1 2.320 -7.148 -3.441 1.00 3.24 C ATOM 3 C MET A 1 1.140 -6.260 -3.823 1.00 63.12 C ATOM 4 O MET A 1 0.029 -6.746 -4.032 1.00 22.32 O ATOM 5 CB MET A 1 1.854 -8.596 -3.283 1.00 70.45 C ATOM 6 CG MET A 1 1.028 -8.836 -2.030 1.00 24.51 C ATOM 7 SD MET A 1 0.704 -10.586 -1.737 1.00 13.34 S ATOM 8 CE MET A 1 0.336 -10.572 0.016 1.00 31.53 C ATOM 0 H1 MET A 1 3.567 -7.423 -1.831 1.00 64.22 H new ATOM 0 H2 MET A 1 3.504 -5.826 -2.405 1.00 64.22 H new ATOM 0 H3 MET A 1 2.207 -6.458 -1.509 1.00 64.22 H new ATOM 0 HA MET A 1 3.062 -7.098 -4.238 1.00 3.24 H new ATOM 0 HB2 MET A 1 1.265 -8.876 -4.156 1.00 70.45 H new ATOM 0 HB3 MET A 1 2.726 -9.250 -3.264 1.00 70.45 H new ATOM 0 HG2 MET A 1 1.550 -8.418 -1.169 1.00 24.51 H new ATOM 0 HG3 MET A 1 0.080 -8.304 -2.117 1.00 24.51 H new ATOM 0 HE1 MET A 1 0.114 -11.586 0.349 1.00 31.53 H new ATOM 0 HE2 MET A 1 1.196 -10.190 0.565 1.00 31.53 H new ATOM 0 HE3 MET A 1 -0.526 -9.932 0.202 1.00 31.53 H new ATOM 18 N GLN A 2 1.390 -4.958 -3.913 1.00 12.32 N ATOM 19 CA GLN A 2 0.347 -4.003 -4.269 1.00 73.33 C ATOM 20 C GLN A 2 0.586 -3.430 -5.662 1.00 63.01 C ATOM 21 O GLN A 2 -0.292 -3.477 -6.524 1.00 45.12 O ATOM 22 CB GLN A 2 0.289 -2.871 -3.242 1.00 72.50 C ATOM 23 CG GLN A 2 0.080 -3.354 -1.816 1.00 33.42 C ATOM 24 CD GLN A 2 0.811 -2.502 -0.798 1.00 2.11 C ATOM 25 OE1 GLN A 2 0.457 -1.345 -0.571 1.00 0.32 O ATOM 26 NE2 GLN A 2 1.839 -3.071 -0.178 1.00 14.42 N ATOM 0 H GLN A 2 2.305 -4.540 -3.744 1.00 12.32 H new ATOM 0 HA GLN A 2 -0.607 -4.530 -4.271 1.00 73.33 H new ATOM 0 HB2 GLN A 2 1.216 -2.299 -3.291 1.00 72.50 H new ATOM 0 HB3 GLN A 2 -0.520 -2.191 -3.509 1.00 72.50 H new ATOM 0 HG2 GLN A 2 -0.986 -3.351 -1.588 1.00 33.42 H new ATOM 0 HG3 GLN A 2 0.421 -4.386 -1.732 1.00 33.42 H new ATOM 0 HE21 GLN A 2 2.098 -4.033 -0.397 1.00 14.42 H new ATOM 0 HE22 GLN A 2 2.369 -2.546 0.517 1.00 14.42 H new ATOM 35 N LYS A 3 1.781 -2.888 -5.876 1.00 74.41 N ATOM 36 CA LYS A 3 2.137 -2.306 -7.164 1.00 65.24 C ATOM 37 C LYS A 3 2.397 -3.395 -8.200 1.00 62.14 C ATOM 38 O LYS A 3 2.560 -4.565 -7.858 1.00 23.34 O ATOM 39 CB LYS A 3 3.376 -1.418 -7.021 1.00 33.44 C ATOM 40 CG LYS A 3 4.670 -2.199 -6.872 1.00 60.32 C ATOM 41 CD LYS A 3 5.387 -2.348 -8.203 1.00 62.15 C ATOM 42 CE LYS A 3 6.897 -2.379 -8.023 1.00 1.23 C ATOM 43 NZ LYS A 3 7.605 -2.633 -9.308 1.00 54.13 N ATOM 0 H LYS A 3 2.519 -2.840 -5.173 1.00 74.41 H new ATOM 0 HA LYS A 3 1.298 -1.698 -7.504 1.00 65.24 H new ATOM 0 HB2 LYS A 3 3.451 -0.770 -7.894 1.00 33.44 H new ATOM 0 HB3 LYS A 3 3.250 -0.770 -6.153 1.00 33.44 H new ATOM 0 HG2 LYS A 3 5.322 -1.692 -6.161 1.00 60.32 H new ATOM 0 HG3 LYS A 3 4.456 -3.185 -6.461 1.00 60.32 H new ATOM 0 HD2 LYS A 3 5.059 -3.265 -8.693 1.00 62.15 H new ATOM 0 HD3 LYS A 3 5.115 -1.521 -8.859 1.00 62.15 H new ATOM 0 HE2 LYS A 3 7.232 -1.430 -7.605 1.00 1.23 H new ATOM 0 HE3 LYS A 3 7.161 -3.154 -7.304 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 8.568 -2.243 -9.257 1.00 54.13 H new ATOM 0 HZ2 LYS A 3 7.655 -3.657 -9.480 1.00 54.13 H new ATOM 0 HZ3 LYS A 3 7.087 -2.176 -10.086 1.00 54.13 H new ATOM 57 N GLY A 4 2.436 -3.001 -9.470 1.00 32.22 N ATOM 58 CA GLY A 4 2.678 -3.956 -10.536 1.00 13.13 C ATOM 59 C GLY A 4 1.394 -4.517 -11.114 1.00 53.43 C ATOM 60 O GLY A 4 1.398 -5.576 -11.743 1.00 53.20 O ATOM 0 H GLY A 4 2.304 -2.038 -9.779 1.00 32.22 H new ATOM 0 HA2 GLY A 4 3.250 -3.474 -11.329 1.00 13.13 H new ATOM 0 HA3 GLY A 4 3.289 -4.774 -10.155 1.00 13.13 H new ATOM 64 N LEU A 5 0.291 -3.807 -10.901 1.00 43.21 N ATOM 65 CA LEU A 5 -1.007 -4.240 -11.405 1.00 33.52 C ATOM 66 C LEU A 5 -1.775 -3.070 -12.010 1.00 15.34 C ATOM 67 O LEU A 5 -1.497 -1.910 -11.707 1.00 65.11 O ATOM 68 CB LEU A 5 -1.826 -4.876 -10.280 1.00 33.00 C ATOM 69 CG LEU A 5 -1.885 -6.404 -10.273 1.00 41.02 C ATOM 70 CD1 LEU A 5 -2.449 -6.922 -11.587 1.00 63.40 C ATOM 71 CD2 LEU A 5 -0.504 -6.989 -10.015 1.00 73.51 C ATOM 0 H LEU A 5 0.270 -2.929 -10.383 1.00 43.21 H new ATOM 0 HA LEU A 5 -0.837 -4.981 -12.186 1.00 33.52 H new ATOM 0 HB2 LEU A 5 -1.415 -4.544 -9.326 1.00 33.00 H new ATOM 0 HB3 LEU A 5 -2.845 -4.493 -10.339 1.00 33.00 H new ATOM 0 HG LEU A 5 -2.548 -6.720 -9.467 1.00 41.02 H new ATOM 0 HD11 LEU A 5 -2.484 -8.011 -11.564 1.00 63.40 H new ATOM 0 HD12 LEU A 5 -3.456 -6.530 -11.730 1.00 63.40 H new ATOM 0 HD13 LEU A 5 -1.812 -6.597 -12.410 1.00 63.40 H new ATOM 0 HD21 LEU A 5 -0.564 -8.077 -10.013 1.00 73.51 H new ATOM 0 HD22 LEU A 5 0.181 -6.665 -10.799 1.00 73.51 H new ATOM 0 HD23 LEU A 5 -0.138 -6.644 -9.048 1.00 73.51 H new ATOM 83 N GLU A 6 -2.745 -3.383 -12.864 1.00 1.43 N ATOM 84 CA GLU A 6 -3.554 -2.356 -13.509 1.00 51.44 C ATOM 85 C GLU A 6 -4.874 -2.157 -12.769 1.00 24.20 C ATOM 86 O GLU A 6 -5.626 -3.108 -12.554 1.00 61.13 O ATOM 87 CB GLU A 6 -3.826 -2.731 -14.967 1.00 73.35 C ATOM 88 CG GLU A 6 -2.583 -3.160 -15.728 1.00 22.52 C ATOM 89 CD GLU A 6 -2.904 -3.737 -17.093 1.00 43.32 C ATOM 90 OE1 GLU A 6 -3.235 -4.938 -17.168 1.00 21.32 O ATOM 91 OE2 GLU A 6 -2.824 -2.985 -18.087 1.00 63.04 O ATOM 0 H GLU A 6 -2.989 -4.338 -13.125 1.00 1.43 H new ATOM 0 HA GLU A 6 -2.997 -1.420 -13.480 1.00 51.44 H new ATOM 0 HB2 GLU A 6 -4.556 -3.540 -14.995 1.00 73.35 H new ATOM 0 HB3 GLU A 6 -4.276 -1.878 -15.475 1.00 73.35 H new ATOM 0 HG2 GLU A 6 -1.921 -2.303 -15.847 1.00 22.52 H new ATOM 0 HG3 GLU A 6 -2.041 -3.903 -15.142 1.00 22.52 H new ATOM 98 N ILE A 7 -5.147 -0.916 -12.381 1.00 64.01 N ATOM 99 CA ILE A 7 -6.375 -0.593 -11.665 1.00 45.55 C ATOM 100 C ILE A 7 -6.974 0.717 -12.167 1.00 75.41 C ATOM 101 O ILE A 7 -6.252 1.638 -12.546 1.00 25.34 O ATOM 102 CB ILE A 7 -6.130 -0.484 -10.149 1.00 33.43 C ATOM 103 CG1 ILE A 7 -4.811 0.240 -9.873 1.00 12.22 C ATOM 104 CG2 ILE A 7 -6.125 -1.867 -9.513 1.00 43.33 C ATOM 105 CD1 ILE A 7 -3.617 -0.686 -9.799 1.00 52.45 C ATOM 0 H ILE A 7 -4.535 -0.118 -12.550 1.00 64.01 H new ATOM 0 HA ILE A 7 -7.075 -1.407 -11.854 1.00 45.55 H new ATOM 0 HB ILE A 7 -6.940 0.096 -9.706 1.00 33.43 H new ATOM 0 HG12 ILE A 7 -4.640 0.978 -10.657 1.00 12.22 H new ATOM 0 HG13 ILE A 7 -4.896 0.786 -8.934 1.00 12.22 H new ATOM 0 HG21 ILE A 7 -5.951 -1.774 -8.441 1.00 43.33 H new ATOM 0 HG22 ILE A 7 -7.087 -2.349 -9.684 1.00 43.33 H new ATOM 0 HG23 ILE A 7 -5.333 -2.469 -9.958 1.00 43.33 H new ATOM 0 HD11 ILE A 7 -2.717 -0.104 -9.601 1.00 52.45 H new ATOM 0 HD12 ILE A 7 -3.766 -1.408 -8.996 1.00 52.45 H new ATOM 0 HD13 ILE A 7 -3.507 -1.214 -10.746 1.00 52.45 H new ATOM 117 N ALA A 8 -8.301 0.792 -12.165 1.00 53.12 N ATOM 118 CA ALA A 8 -8.999 1.990 -12.616 1.00 60.23 C ATOM 119 C ALA A 8 -9.959 2.501 -11.547 1.00 44.44 C ATOM 120 O ALA A 8 -10.533 1.720 -10.789 1.00 75.24 O ATOM 121 CB ALA A 8 -9.748 1.708 -13.910 1.00 55.21 C ATOM 0 H ALA A 8 -8.914 0.038 -11.856 1.00 53.12 H new ATOM 0 HA ALA A 8 -8.256 2.766 -12.801 1.00 60.23 H new ATOM 0 HB1 ALA A 8 -10.265 2.611 -14.235 1.00 55.21 H new ATOM 0 HB2 ALA A 8 -9.041 1.397 -14.679 1.00 55.21 H new ATOM 0 HB3 ALA A 8 -10.476 0.914 -13.744 1.00 55.21 H new ATOM 127 N PHE A 9 -10.127 3.818 -11.492 1.00 10.45 N ATOM 128 CA PHE A 9 -11.016 4.435 -10.514 1.00 32.33 C ATOM 129 C PHE A 9 -11.826 5.561 -11.149 1.00 2.42 C ATOM 130 O PHE A 9 -11.296 6.362 -11.919 1.00 23.30 O ATOM 131 CB PHE A 9 -10.211 4.975 -9.330 1.00 32.52 C ATOM 132 CG PHE A 9 -11.058 5.641 -8.283 1.00 62.41 C ATOM 133 CD1 PHE A 9 -12.072 4.943 -7.646 1.00 44.33 C ATOM 134 CD2 PHE A 9 -10.840 6.964 -7.936 1.00 51.45 C ATOM 135 CE1 PHE A 9 -12.852 5.553 -6.682 1.00 54.23 C ATOM 136 CE2 PHE A 9 -11.617 7.579 -6.973 1.00 52.31 C ATOM 137 CZ PHE A 9 -12.625 6.873 -6.346 1.00 54.32 C ATOM 0 H PHE A 9 -9.659 4.479 -12.113 1.00 10.45 H new ATOM 0 HA PHE A 9 -11.707 3.672 -10.156 1.00 32.33 H new ATOM 0 HB2 PHE A 9 -9.659 4.154 -8.872 1.00 32.52 H new ATOM 0 HB3 PHE A 9 -9.474 5.689 -9.698 1.00 32.52 H new ATOM 0 HD1 PHE A 9 -12.255 3.911 -7.906 1.00 44.33 H new ATOM 0 HD2 PHE A 9 -10.054 7.521 -8.424 1.00 51.45 H new ATOM 0 HE1 PHE A 9 -13.638 4.998 -6.192 1.00 54.23 H new ATOM 0 HE2 PHE A 9 -11.436 8.611 -6.711 1.00 52.31 H new ATOM 0 HZ PHE A 9 -13.235 7.352 -5.594 1.00 54.32 H new ATOM 147 N GLN A 10 -13.112 5.616 -10.820 1.00 34.31 N ATOM 148 CA GLN A 10 -13.995 6.643 -11.359 1.00 55.10 C ATOM 149 C GLN A 10 -14.462 7.592 -10.260 1.00 24.13 C ATOM 150 O GLN A 10 -14.404 7.263 -9.074 1.00 73.44 O ATOM 151 CB GLN A 10 -15.205 6.000 -12.041 1.00 25.15 C ATOM 152 CG GLN A 10 -15.752 4.794 -11.295 1.00 74.54 C ATOM 153 CD GLN A 10 -16.268 5.145 -9.914 1.00 3.52 C ATOM 154 OE1 GLN A 10 -15.573 4.961 -8.914 1.00 33.51 O ATOM 155 NE2 GLN A 10 -17.492 5.656 -9.851 1.00 2.34 N ATOM 0 H GLN A 10 -13.566 4.961 -10.183 1.00 34.31 H new ATOM 0 HA GLN A 10 -13.434 7.217 -12.096 1.00 55.10 H new ATOM 0 HB2 GLN A 10 -15.995 6.745 -12.140 1.00 25.15 H new ATOM 0 HB3 GLN A 10 -14.925 5.697 -13.050 1.00 25.15 H new ATOM 0 HG2 GLN A 10 -16.558 4.347 -11.877 1.00 74.54 H new ATOM 0 HG3 GLN A 10 -14.969 4.041 -11.205 1.00 74.54 H new ATOM 0 HE21 GLN A 10 -18.033 5.791 -10.705 1.00 2.34 H new ATOM 0 HE22 GLN A 10 -17.891 5.913 -8.948 1.00 2.34 H new ATOM 164 N THR A 11 -14.923 8.773 -10.660 1.00 72.41 N ATOM 165 CA THR A 11 -15.398 9.770 -9.709 1.00 42.14 C ATOM 166 C THR A 11 -16.531 10.599 -10.302 1.00 52.33 C ATOM 167 O THR A 11 -16.347 11.295 -11.302 1.00 21.42 O ATOM 168 CB THR A 11 -14.262 10.713 -9.271 1.00 2.41 C ATOM 169 OG1 THR A 11 -14.767 12.042 -9.100 1.00 40.43 O ATOM 170 CG2 THR A 11 -13.138 10.720 -10.296 1.00 50.42 C ATOM 0 H THR A 11 -14.977 9.062 -11.637 1.00 72.41 H new ATOM 0 HA THR A 11 -15.766 9.227 -8.838 1.00 42.14 H new ATOM 0 HB THR A 11 -13.865 10.351 -8.323 1.00 2.41 H new ATOM 0 HG1 THR A 11 -14.020 12.677 -9.089 1.00 40.43 H new ATOM 0 HG21 THR A 11 -12.347 11.393 -9.964 1.00 50.42 H new ATOM 0 HG22 THR A 11 -12.736 9.712 -10.402 1.00 50.42 H new ATOM 0 HG23 THR A 11 -13.524 11.059 -11.257 1.00 50.42 H new ATOM 178 N ILE A 12 -17.703 10.522 -9.680 1.00 62.23 N ATOM 179 CA ILE A 12 -18.865 11.267 -10.146 1.00 54.34 C ATOM 180 C ILE A 12 -19.690 11.788 -8.974 1.00 54.15 C ATOM 181 O ILE A 12 -19.675 11.213 -7.887 1.00 60.22 O ATOM 182 CB ILE A 12 -19.765 10.401 -11.048 1.00 42.52 C ATOM 183 CG1 ILE A 12 -18.911 9.503 -11.945 1.00 41.03 C ATOM 184 CG2 ILE A 12 -20.678 11.282 -11.887 1.00 53.44 C ATOM 185 CD1 ILE A 12 -18.577 8.167 -11.320 1.00 75.40 C ATOM 0 H ILE A 12 -17.872 9.951 -8.852 1.00 62.23 H new ATOM 0 HA ILE A 12 -18.488 12.110 -10.725 1.00 54.34 H new ATOM 0 HB ILE A 12 -20.386 9.766 -10.415 1.00 42.52 H new ATOM 0 HG12 ILE A 12 -19.438 9.334 -12.884 1.00 41.03 H new ATOM 0 HG13 ILE A 12 -17.984 10.023 -12.189 1.00 41.03 H new ATOM 0 HG21 ILE A 12 -21.308 10.656 -12.519 1.00 53.44 H new ATOM 0 HG22 ILE A 12 -21.307 11.884 -11.231 1.00 53.44 H new ATOM 0 HG23 ILE A 12 -20.075 11.939 -12.513 1.00 53.44 H new ATOM 0 HD11 ILE A 12 -17.970 7.583 -12.012 1.00 75.40 H new ATOM 0 HD12 ILE A 12 -18.022 8.326 -10.396 1.00 75.40 H new ATOM 0 HD13 ILE A 12 -19.498 7.627 -11.101 1.00 75.40 H new ATOM 197 N ASN A 13 -20.412 12.880 -9.205 1.00 2.41 N ATOM 198 CA ASN A 13 -21.245 13.479 -8.168 1.00 71.33 C ATOM 199 C ASN A 13 -20.402 13.903 -6.970 1.00 23.02 C ATOM 200 O ASN A 13 -19.948 13.067 -6.189 1.00 74.03 O ATOM 201 CB ASN A 13 -22.326 12.493 -7.722 1.00 35.32 C ATOM 202 CG ASN A 13 -22.826 12.779 -6.319 1.00 13.01 C ATOM 203 OD1 ASN A 13 -23.009 13.935 -5.937 1.00 31.00 O ATOM 204 ND2 ASN A 13 -23.050 11.724 -5.544 1.00 5.12 N ATOM 0 H ASN A 13 -20.437 13.368 -10.100 1.00 2.41 H new ATOM 0 HA ASN A 13 -21.721 14.366 -8.586 1.00 71.33 H new ATOM 0 HB2 ASN A 13 -23.163 12.536 -8.419 1.00 35.32 H new ATOM 0 HB3 ASN A 13 -21.928 11.479 -7.763 1.00 35.32 H new ATOM 0 HD21 ASN A 13 -23.388 11.854 -4.590 1.00 5.12 H new ATOM 0 HD22 ASN A 13 -22.885 10.784 -5.902 1.00 5.12 H new ATOM 211 N GLY A 14 -20.196 15.209 -6.830 1.00 41.24 N ATOM 212 CA GLY A 14 -19.408 15.722 -5.725 1.00 11.12 C ATOM 213 C GLY A 14 -18.040 16.206 -6.163 1.00 52.31 C ATOM 214 O GLY A 14 -17.873 16.687 -7.285 1.00 14.12 O ATOM 0 H GLY A 14 -20.561 15.921 -7.463 1.00 41.24 H new ATOM 0 HA2 GLY A 14 -19.945 16.543 -5.250 1.00 11.12 H new ATOM 0 HA3 GLY A 14 -19.290 14.941 -4.974 1.00 11.12 H new ATOM 218 N LEU A 15 -17.058 16.081 -5.277 1.00 54.40 N ATOM 219 CA LEU A 15 -15.697 16.512 -5.578 1.00 32.44 C ATOM 220 C LEU A 15 -14.683 15.467 -5.123 1.00 71.35 C ATOM 221 O LEU A 15 -13.993 15.651 -4.121 1.00 12.44 O ATOM 222 CB LEU A 15 -15.404 17.852 -4.901 1.00 23.32 C ATOM 223 CG LEU A 15 -16.435 18.958 -5.126 1.00 34.40 C ATOM 224 CD1 LEU A 15 -16.252 20.074 -4.109 1.00 71.43 C ATOM 225 CD2 LEU A 15 -16.333 19.502 -6.543 1.00 45.41 C ATOM 0 H LEU A 15 -17.179 15.685 -4.345 1.00 54.40 H new ATOM 0 HA LEU A 15 -15.610 16.631 -6.658 1.00 32.44 H new ATOM 0 HB2 LEU A 15 -15.312 17.682 -3.828 1.00 23.32 H new ATOM 0 HB3 LEU A 15 -14.436 18.209 -5.251 1.00 23.32 H new ATOM 0 HG LEU A 15 -17.430 18.533 -4.993 1.00 34.40 H new ATOM 0 HD11 LEU A 15 -16.995 20.852 -4.285 1.00 71.43 H new ATOM 0 HD12 LEU A 15 -16.377 19.674 -3.103 1.00 71.43 H new ATOM 0 HD13 LEU A 15 -15.253 20.497 -4.209 1.00 71.43 H new ATOM 0 HD21 LEU A 15 -17.074 20.288 -6.685 1.00 45.41 H new ATOM 0 HD22 LEU A 15 -15.335 19.910 -6.705 1.00 45.41 H new ATOM 0 HD23 LEU A 15 -16.516 18.698 -7.256 1.00 45.41 H new ATOM 237 N ASP A 16 -14.597 14.371 -5.869 1.00 23.40 N ATOM 238 CA ASP A 16 -13.664 13.297 -5.545 1.00 53.12 C ATOM 239 C ASP A 16 -12.232 13.702 -5.879 1.00 40.41 C ATOM 240 O ASP A 16 -11.289 12.958 -5.614 1.00 21.21 O ATOM 241 CB ASP A 16 -14.037 12.023 -6.304 1.00 60.32 C ATOM 242 CG ASP A 16 -13.933 10.782 -5.439 1.00 41.10 C ATOM 243 OD1 ASP A 16 -14.454 10.805 -4.304 1.00 45.34 O ATOM 244 OD2 ASP A 16 -13.330 9.788 -5.896 1.00 50.32 O ATOM 0 H ASP A 16 -15.161 14.203 -6.702 1.00 23.40 H new ATOM 0 HA ASP A 16 -13.727 13.105 -4.474 1.00 53.12 H new ATOM 0 HB2 ASP A 16 -15.055 12.114 -6.683 1.00 60.32 H new ATOM 0 HB3 ASP A 16 -13.383 11.915 -7.170 1.00 60.32 H new ATOM 249 N GLU A 17 -12.078 14.887 -6.463 1.00 72.31 N ATOM 250 CA GLU A 17 -10.761 15.389 -6.835 1.00 4.03 C ATOM 251 C GLU A 17 -9.776 15.242 -5.678 1.00 72.00 C ATOM 252 O GLU A 17 -8.578 15.054 -5.889 1.00 31.23 O ATOM 253 CB GLU A 17 -10.851 16.856 -7.259 1.00 2.43 C ATOM 254 CG GLU A 17 -11.872 17.112 -8.354 1.00 35.11 C ATOM 255 CD GLU A 17 -11.798 18.523 -8.904 1.00 2.12 C ATOM 256 OE1 GLU A 17 -12.129 19.468 -8.158 1.00 15.13 O ATOM 257 OE2 GLU A 17 -11.408 18.683 -10.079 1.00 72.43 O ATOM 0 H GLU A 17 -12.849 15.516 -6.688 1.00 72.31 H new ATOM 0 HA GLU A 17 -10.399 14.797 -7.676 1.00 4.03 H new ATOM 0 HB2 GLU A 17 -11.104 17.462 -6.389 1.00 2.43 H new ATOM 0 HB3 GLU A 17 -9.871 17.187 -7.603 1.00 2.43 H new ATOM 0 HG2 GLU A 17 -11.715 16.401 -9.165 1.00 35.11 H new ATOM 0 HG3 GLU A 17 -12.873 16.931 -7.962 1.00 35.11 H new ATOM 264 N SER A 18 -10.291 15.330 -4.456 1.00 20.23 N ATOM 265 CA SER A 18 -9.458 15.211 -3.265 1.00 3.10 C ATOM 266 C SER A 18 -8.768 13.851 -3.218 1.00 43.21 C ATOM 267 O SER A 18 -7.569 13.759 -2.948 1.00 74.34 O ATOM 268 CB SER A 18 -10.301 15.412 -2.004 1.00 71.44 C ATOM 269 OG SER A 18 -9.499 15.343 -0.838 1.00 73.40 O ATOM 0 H SER A 18 -11.281 15.483 -4.265 1.00 20.23 H new ATOM 0 HA SER A 18 -8.693 15.986 -3.309 1.00 3.10 H new ATOM 0 HB2 SER A 18 -10.802 16.379 -2.048 1.00 71.44 H new ATOM 0 HB3 SER A 18 -11.080 14.651 -1.959 1.00 71.44 H new ATOM 0 HG SER A 18 -9.708 14.522 -0.345 1.00 73.40 H new ATOM 275 N LEU A 19 -9.533 12.798 -3.482 1.00 64.33 N ATOM 276 CA LEU A 19 -8.997 11.441 -3.471 1.00 25.12 C ATOM 277 C LEU A 19 -8.110 11.195 -4.688 1.00 14.23 C ATOM 278 O LEU A 19 -7.026 10.624 -4.574 1.00 20.50 O ATOM 279 CB LEU A 19 -10.137 10.421 -3.441 1.00 45.35 C ATOM 280 CG LEU A 19 -9.739 8.964 -3.677 1.00 74.43 C ATOM 281 CD1 LEU A 19 -8.739 8.506 -2.627 1.00 15.22 C ATOM 282 CD2 LEU A 19 -10.970 8.068 -3.671 1.00 3.11 C ATOM 0 H LEU A 19 -10.526 12.857 -3.706 1.00 64.33 H new ATOM 0 HA LEU A 19 -8.390 11.324 -2.573 1.00 25.12 H new ATOM 0 HB2 LEU A 19 -10.633 10.489 -2.473 1.00 45.35 H new ATOM 0 HB3 LEU A 19 -10.871 10.703 -4.196 1.00 45.35 H new ATOM 0 HG LEU A 19 -9.265 8.891 -4.656 1.00 74.43 H new ATOM 0 HD11 LEU A 19 -8.468 7.467 -2.812 1.00 15.22 H new ATOM 0 HD12 LEU A 19 -7.846 9.129 -2.679 1.00 15.22 H new ATOM 0 HD13 LEU A 19 -9.185 8.594 -1.637 1.00 15.22 H new ATOM 0 HD21 LEU A 19 -10.668 7.034 -3.840 1.00 3.11 H new ATOM 0 HD22 LEU A 19 -11.472 8.146 -2.707 1.00 3.11 H new ATOM 0 HD23 LEU A 19 -11.652 8.381 -4.462 1.00 3.11 H new ATOM 294 N VAL A 20 -8.578 11.633 -5.852 1.00 75.13 N ATOM 295 CA VAL A 20 -7.827 11.464 -7.090 1.00 73.44 C ATOM 296 C VAL A 20 -6.478 12.170 -7.016 1.00 32.44 C ATOM 297 O VAL A 20 -5.450 11.604 -7.385 1.00 62.24 O ATOM 298 CB VAL A 20 -8.611 12.005 -8.301 1.00 31.21 C ATOM 299 CG1 VAL A 20 -7.917 11.625 -9.600 1.00 21.21 C ATOM 300 CG2 VAL A 20 -10.043 11.490 -8.281 1.00 45.34 C ATOM 0 H VAL A 20 -9.474 12.108 -5.964 1.00 75.13 H new ATOM 0 HA VAL A 20 -7.667 10.394 -7.219 1.00 73.44 H new ATOM 0 HB VAL A 20 -8.639 13.093 -8.237 1.00 31.21 H new ATOM 0 HG11 VAL A 20 -8.485 12.016 -10.444 1.00 21.21 H new ATOM 0 HG12 VAL A 20 -6.912 12.047 -9.613 1.00 21.21 H new ATOM 0 HG13 VAL A 20 -7.855 10.539 -9.676 1.00 21.21 H new ATOM 0 HG21 VAL A 20 -10.583 11.882 -9.143 1.00 45.34 H new ATOM 0 HG22 VAL A 20 -10.038 10.401 -8.320 1.00 45.34 H new ATOM 0 HG23 VAL A 20 -10.535 11.818 -7.365 1.00 45.34 H new ATOM 310 N GLN A 21 -6.491 13.408 -6.534 1.00 43.42 N ATOM 311 CA GLN A 21 -5.267 14.192 -6.411 1.00 72.01 C ATOM 312 C GLN A 21 -4.379 13.644 -5.299 1.00 32.40 C ATOM 313 O GLN A 21 -3.158 13.579 -5.441 1.00 15.41 O ATOM 314 CB GLN A 21 -5.602 15.659 -6.136 1.00 45.12 C ATOM 315 CG GLN A 21 -6.126 16.402 -7.354 1.00 42.24 C ATOM 316 CD GLN A 21 -6.219 17.899 -7.130 1.00 65.40 C ATOM 317 OE1 GLN A 21 -5.566 18.446 -6.241 1.00 14.24 O ATOM 318 NE2 GLN A 21 -7.032 18.569 -7.938 1.00 3.24 N ATOM 0 H GLN A 21 -7.334 13.890 -6.222 1.00 43.42 H new ATOM 0 HA GLN A 21 -4.723 14.121 -7.353 1.00 72.01 H new ATOM 0 HB2 GLN A 21 -6.346 15.710 -5.341 1.00 45.12 H new ATOM 0 HB3 GLN A 21 -4.709 16.164 -5.769 1.00 45.12 H new ATOM 0 HG2 GLN A 21 -5.472 16.206 -8.204 1.00 42.24 H new ATOM 0 HG3 GLN A 21 -7.111 16.016 -7.614 1.00 42.24 H new ATOM 0 HE21 GLN A 21 -7.554 18.074 -8.661 1.00 3.24 H new ATOM 0 HE22 GLN A 21 -7.135 19.579 -7.835 1.00 3.24 H new ATOM 327 N ALA A 22 -5.001 13.250 -4.192 1.00 64.32 N ATOM 328 CA ALA A 22 -4.267 12.705 -3.057 1.00 2.34 C ATOM 329 C ALA A 22 -3.580 11.395 -3.424 1.00 65.33 C ATOM 330 O ALA A 22 -2.376 11.233 -3.217 1.00 11.20 O ATOM 331 CB ALA A 22 -5.201 12.500 -1.874 1.00 35.42 C ATOM 0 H ALA A 22 -6.011 13.298 -4.058 1.00 64.32 H new ATOM 0 HA ALA A 22 -3.496 13.423 -2.777 1.00 2.34 H new ATOM 0 HB1 ALA A 22 -4.639 12.092 -1.033 1.00 35.42 H new ATOM 0 HB2 ALA A 22 -5.641 13.455 -1.588 1.00 35.42 H new ATOM 0 HB3 ALA A 22 -5.993 11.805 -2.152 1.00 35.42 H new ATOM 337 N LEU A 23 -4.351 10.461 -3.970 1.00 64.23 N ATOM 338 CA LEU A 23 -3.816 9.163 -4.367 1.00 22.34 C ATOM 339 C LEU A 23 -2.793 9.314 -5.488 1.00 2.52 C ATOM 340 O LEU A 23 -1.798 8.592 -5.536 1.00 31.50 O ATOM 341 CB LEU A 23 -4.949 8.238 -4.816 1.00 45.11 C ATOM 342 CG LEU A 23 -5.468 8.455 -6.238 1.00 23.21 C ATOM 343 CD1 LEU A 23 -4.660 7.635 -7.232 1.00 20.21 C ATOM 344 CD2 LEU A 23 -6.945 8.100 -6.326 1.00 63.43 C ATOM 0 H LEU A 23 -5.349 10.578 -4.148 1.00 64.23 H new ATOM 0 HA LEU A 23 -3.317 8.724 -3.503 1.00 22.34 H new ATOM 0 HB2 LEU A 23 -4.606 7.207 -4.729 1.00 45.11 H new ATOM 0 HB3 LEU A 23 -5.783 8.356 -4.124 1.00 45.11 H new ATOM 0 HG LEU A 23 -5.353 9.509 -6.490 1.00 23.21 H new ATOM 0 HD11 LEU A 23 -5.044 7.802 -8.238 1.00 20.21 H new ATOM 0 HD12 LEU A 23 -3.614 7.937 -7.188 1.00 20.21 H new ATOM 0 HD13 LEU A 23 -4.743 6.577 -6.983 1.00 20.21 H new ATOM 0 HD21 LEU A 23 -7.298 8.260 -7.345 1.00 63.43 H new ATOM 0 HD22 LEU A 23 -7.085 7.054 -6.054 1.00 63.43 H new ATOM 0 HD23 LEU A 23 -7.512 8.731 -5.642 1.00 63.43 H new ATOM 356 N ALA A 24 -3.044 10.261 -6.386 1.00 64.15 N ATOM 357 CA ALA A 24 -2.142 10.511 -7.505 1.00 35.34 C ATOM 358 C ALA A 24 -0.790 11.019 -7.017 1.00 11.32 C ATOM 359 O ALA A 24 0.256 10.599 -7.509 1.00 3.14 O ATOM 360 CB ALA A 24 -2.765 11.506 -8.472 1.00 52.22 C ATOM 0 H ALA A 24 -3.864 10.868 -6.361 1.00 64.15 H new ATOM 0 HA ALA A 24 -1.979 9.568 -8.027 1.00 35.34 H new ATOM 0 HB1 ALA A 24 -2.081 11.683 -9.302 1.00 52.22 H new ATOM 0 HB2 ALA A 24 -3.703 11.103 -8.854 1.00 52.22 H new ATOM 0 HB3 ALA A 24 -2.958 12.445 -7.954 1.00 52.22 H new ATOM 366 N GLY A 25 -0.820 11.928 -6.046 1.00 65.23 N ATOM 367 CA GLY A 25 0.411 12.479 -5.509 1.00 54.41 C ATOM 368 C GLY A 25 1.216 11.454 -4.736 1.00 5.50 C ATOM 369 O GLY A 25 2.418 11.302 -4.959 1.00 34.12 O ATOM 0 H GLY A 25 -1.674 12.292 -5.622 1.00 65.23 H new ATOM 0 HA2 GLY A 25 1.017 12.871 -6.326 1.00 54.41 H new ATOM 0 HA3 GLY A 25 0.175 13.319 -4.856 1.00 54.41 H new ATOM 373 N VAL A 26 0.555 10.750 -3.823 1.00 3.33 N ATOM 374 CA VAL A 26 1.218 9.735 -3.013 1.00 71.21 C ATOM 375 C VAL A 26 1.807 8.634 -3.887 1.00 63.42 C ATOM 376 O VAL A 26 2.896 8.125 -3.616 1.00 34.02 O ATOM 377 CB VAL A 26 0.246 9.104 -1.998 1.00 2.52 C ATOM 378 CG1 VAL A 26 -0.927 8.453 -2.714 1.00 41.34 C ATOM 379 CG2 VAL A 26 0.973 8.096 -1.121 1.00 72.43 C ATOM 0 H VAL A 26 -0.439 10.864 -3.626 1.00 3.33 H new ATOM 0 HA VAL A 26 2.021 10.236 -2.473 1.00 71.21 H new ATOM 0 HB VAL A 26 -0.145 9.894 -1.357 1.00 2.52 H new ATOM 0 HG11 VAL A 26 -1.602 8.013 -1.980 1.00 41.34 H new ATOM 0 HG12 VAL A 26 -1.462 9.205 -3.294 1.00 41.34 H new ATOM 0 HG13 VAL A 26 -0.559 7.674 -3.381 1.00 41.34 H new ATOM 0 HG21 VAL A 26 0.272 7.660 -0.410 1.00 72.43 H new ATOM 0 HG22 VAL A 26 1.394 7.308 -1.745 1.00 72.43 H new ATOM 0 HG23 VAL A 26 1.775 8.597 -0.579 1.00 72.43 H new ATOM 389 N THR A 27 1.082 8.269 -4.940 1.00 35.44 N ATOM 390 CA THR A 27 1.531 7.227 -5.854 1.00 65.12 C ATOM 391 C THR A 27 2.775 7.666 -6.619 1.00 53.31 C ATOM 392 O THR A 27 3.791 6.973 -6.620 1.00 44.04 O ATOM 393 CB THR A 27 0.429 6.850 -6.862 1.00 23.40 C ATOM 394 OG1 THR A 27 -0.141 8.034 -7.430 1.00 72.32 O ATOM 395 CG2 THR A 27 -0.660 6.028 -6.190 1.00 32.12 C ATOM 0 H THR A 27 0.180 8.681 -5.181 1.00 35.44 H new ATOM 0 HA THR A 27 1.770 6.355 -5.246 1.00 65.12 H new ATOM 0 HB THR A 27 0.880 6.250 -7.652 1.00 23.40 H new ATOM 0 HG1 THR A 27 -0.852 8.368 -6.844 1.00 72.32 H new ATOM 0 HG21 THR A 27 -1.427 5.773 -6.921 1.00 32.12 H new ATOM 0 HG22 THR A 27 -0.228 5.113 -5.784 1.00 32.12 H new ATOM 0 HG23 THR A 27 -1.107 6.607 -5.382 1.00 32.12 H new ATOM 403 N ALA A 28 2.687 8.823 -7.268 1.00 74.32 N ATOM 404 CA ALA A 28 3.806 9.356 -8.035 1.00 30.33 C ATOM 405 C ALA A 28 5.030 9.561 -7.149 1.00 20.44 C ATOM 406 O ALA A 28 6.166 9.416 -7.600 1.00 1.00 O ATOM 407 CB ALA A 28 3.412 10.664 -8.704 1.00 72.23 C ATOM 0 H ALA A 28 1.852 9.409 -7.278 1.00 74.32 H new ATOM 0 HA ALA A 28 4.065 8.630 -8.806 1.00 30.33 H new ATOM 0 HB1 ALA A 28 4.257 11.051 -9.273 1.00 72.23 H new ATOM 0 HB2 ALA A 28 2.571 10.490 -9.376 1.00 72.23 H new ATOM 0 HB3 ALA A 28 3.125 11.390 -7.943 1.00 72.23 H new ATOM 413 N SER A 29 4.791 9.899 -5.886 1.00 33.24 N ATOM 414 CA SER A 29 5.874 10.128 -4.937 1.00 43.12 C ATOM 415 C SER A 29 6.507 8.809 -4.505 1.00 74.43 C ATOM 416 O SER A 29 7.727 8.702 -4.386 1.00 3.35 O ATOM 417 CB SER A 29 5.357 10.884 -3.712 1.00 34.11 C ATOM 418 OG SER A 29 4.557 10.046 -2.896 1.00 31.50 O ATOM 0 H SER A 29 3.856 10.020 -5.496 1.00 33.24 H new ATOM 0 HA SER A 29 6.635 10.731 -5.432 1.00 43.12 H new ATOM 0 HB2 SER A 29 6.199 11.264 -3.133 1.00 34.11 H new ATOM 0 HB3 SER A 29 4.775 11.748 -4.033 1.00 34.11 H new ATOM 0 HG SER A 29 4.022 9.452 -3.463 1.00 31.50 H new ATOM 424 N ASP A 30 5.667 7.806 -4.273 1.00 31.21 N ATOM 425 CA ASP A 30 6.142 6.492 -3.855 1.00 61.11 C ATOM 426 C ASP A 30 6.779 5.747 -5.024 1.00 52.24 C ATOM 427 O ASP A 30 7.510 4.775 -4.831 1.00 55.30 O ATOM 428 CB ASP A 30 4.989 5.669 -3.277 1.00 45.23 C ATOM 429 CG ASP A 30 4.478 4.626 -4.251 1.00 31.31 C ATOM 430 OD1 ASP A 30 5.016 3.498 -4.250 1.00 12.41 O ATOM 431 OD2 ASP A 30 3.539 4.936 -5.013 1.00 40.13 O ATOM 0 H ASP A 30 4.654 7.878 -4.367 1.00 31.21 H new ATOM 0 HA ASP A 30 6.898 6.635 -3.083 1.00 61.11 H new ATOM 0 HB2 ASP A 30 5.320 5.177 -2.363 1.00 45.23 H new ATOM 0 HB3 ASP A 30 4.172 6.336 -3.002 1.00 45.23 H new ATOM 436 N PHE A 31 6.496 6.209 -6.238 1.00 34.11 N ATOM 437 CA PHE A 31 7.039 5.585 -7.439 1.00 51.40 C ATOM 438 C PHE A 31 8.010 6.525 -8.148 1.00 24.24 C ATOM 439 O PHE A 31 7.721 7.071 -9.212 1.00 74.34 O ATOM 440 CB PHE A 31 5.908 5.191 -8.391 1.00 34.13 C ATOM 441 CG PHE A 31 5.070 4.051 -7.886 1.00 71.22 C ATOM 442 CD1 PHE A 31 5.661 2.860 -7.495 1.00 14.01 C ATOM 443 CD2 PHE A 31 3.692 4.170 -7.803 1.00 1.04 C ATOM 444 CE1 PHE A 31 4.892 1.809 -7.031 1.00 51.31 C ATOM 445 CE2 PHE A 31 2.918 3.123 -7.339 1.00 62.31 C ATOM 446 CZ PHE A 31 3.519 1.941 -6.952 1.00 3.12 C ATOM 0 H PHE A 31 5.894 7.013 -6.416 1.00 34.11 H new ATOM 0 HA PHE A 31 7.581 4.688 -7.139 1.00 51.40 H new ATOM 0 HB2 PHE A 31 5.267 6.056 -8.559 1.00 34.13 H new ATOM 0 HB3 PHE A 31 6.335 4.918 -9.356 1.00 34.13 H new ATOM 0 HD1 PHE A 31 6.734 2.752 -7.553 1.00 14.01 H new ATOM 0 HD2 PHE A 31 3.217 5.092 -8.104 1.00 1.04 H new ATOM 0 HE1 PHE A 31 5.364 0.885 -6.730 1.00 51.31 H new ATOM 0 HE2 PHE A 31 1.845 3.229 -7.279 1.00 62.31 H new ATOM 0 HZ PHE A 31 2.917 1.122 -6.588 1.00 3.12 H new ATOM 456 N PRO A 32 9.192 6.719 -7.543 1.00 51.01 N ATOM 457 CA PRO A 32 10.231 7.592 -8.098 1.00 13.14 C ATOM 458 C PRO A 32 10.861 7.014 -9.360 1.00 52.01 C ATOM 459 O PRO A 32 11.511 7.728 -10.124 1.00 14.11 O ATOM 460 CB PRO A 32 11.265 7.672 -6.972 1.00 30.10 C ATOM 461 CG PRO A 32 11.073 6.418 -6.191 1.00 74.22 C ATOM 462 CD PRO A 32 9.605 6.101 -6.272 1.00 71.31 C ATOM 0 HA PRO A 32 9.832 8.561 -8.399 1.00 13.14 H new ATOM 0 HB2 PRO A 32 12.278 7.740 -7.369 1.00 30.10 H new ATOM 0 HB3 PRO A 32 11.106 8.553 -6.351 1.00 30.10 H new ATOM 0 HG2 PRO A 32 11.671 5.606 -6.604 1.00 74.22 H new ATOM 0 HG3 PRO A 32 11.387 6.551 -5.156 1.00 74.22 H new ATOM 0 HD2 PRO A 32 9.425 5.026 -6.271 1.00 71.31 H new ATOM 0 HD3 PRO A 32 9.057 6.517 -5.426 1.00 71.31 H new ATOM 470 N ASP A 33 10.664 5.718 -9.573 1.00 62.34 N ATOM 471 CA ASP A 33 11.212 5.044 -10.745 1.00 23.22 C ATOM 472 C ASP A 33 10.671 5.662 -12.030 1.00 43.31 C ATOM 473 O ASP A 33 11.238 5.476 -13.108 1.00 32.21 O ATOM 474 CB ASP A 33 10.880 3.551 -10.703 1.00 41.41 C ATOM 475 CG ASP A 33 11.793 2.730 -11.592 1.00 24.03 C ATOM 476 OD1 ASP A 33 12.556 3.332 -12.376 1.00 22.03 O ATOM 477 OD2 ASP A 33 11.745 1.485 -11.504 1.00 33.03 O ATOM 0 H ASP A 33 10.129 5.113 -8.950 1.00 62.34 H new ATOM 0 HA ASP A 33 12.295 5.168 -10.732 1.00 23.22 H new ATOM 0 HB2 ASP A 33 10.959 3.193 -9.677 1.00 41.41 H new ATOM 0 HB3 ASP A 33 9.846 3.403 -11.014 1.00 41.41 H new ATOM 482 N LEU A 34 9.572 6.398 -11.909 1.00 73.24 N ATOM 483 CA LEU A 34 8.953 7.043 -13.062 1.00 13.52 C ATOM 484 C LEU A 34 8.415 6.007 -14.043 1.00 71.20 C ATOM 485 O LEU A 34 8.093 6.329 -15.187 1.00 21.40 O ATOM 486 CB LEU A 34 9.962 7.953 -13.765 1.00 61.51 C ATOM 487 CG LEU A 34 9.701 9.455 -13.657 1.00 51.34 C ATOM 488 CD1 LEU A 34 10.728 10.112 -12.747 1.00 75.34 C ATOM 489 CD2 LEU A 34 9.718 10.100 -15.036 1.00 31.32 C ATOM 0 H LEU A 34 9.091 6.563 -11.025 1.00 73.24 H new ATOM 0 HA LEU A 34 8.117 7.645 -12.705 1.00 13.52 H new ATOM 0 HB2 LEU A 34 10.952 7.747 -13.358 1.00 61.51 H new ATOM 0 HB3 LEU A 34 9.989 7.684 -14.821 1.00 61.51 H new ATOM 0 HG LEU A 34 8.713 9.602 -13.221 1.00 51.34 H new ATOM 0 HD11 LEU A 34 10.526 11.181 -12.683 1.00 75.34 H new ATOM 0 HD12 LEU A 34 10.668 9.671 -11.752 1.00 75.34 H new ATOM 0 HD13 LEU A 34 11.727 9.956 -13.153 1.00 75.34 H new ATOM 0 HD21 LEU A 34 9.530 11.169 -14.940 1.00 31.32 H new ATOM 0 HD22 LEU A 34 10.692 9.943 -15.499 1.00 31.32 H new ATOM 0 HD23 LEU A 34 8.944 9.650 -15.658 1.00 31.32 H new ATOM 501 N ASP A 35 8.318 4.763 -13.587 1.00 63.22 N ATOM 502 CA ASP A 35 7.816 3.679 -14.424 1.00 30.14 C ATOM 503 C ASP A 35 6.304 3.535 -14.277 1.00 4.12 C ATOM 504 O ASP A 35 5.686 2.687 -14.921 1.00 65.11 O ATOM 505 CB ASP A 35 8.504 2.363 -14.058 1.00 31.15 C ATOM 506 CG ASP A 35 8.431 2.065 -12.573 1.00 22.02 C ATOM 507 OD1 ASP A 35 7.621 2.712 -11.876 1.00 42.44 O ATOM 508 OD2 ASP A 35 9.184 1.184 -12.107 1.00 74.14 O ATOM 0 H ASP A 35 8.580 4.480 -12.643 1.00 63.22 H new ATOM 0 HA ASP A 35 8.041 3.921 -15.463 1.00 30.14 H new ATOM 0 HB2 ASP A 35 8.040 1.547 -14.613 1.00 31.15 H new ATOM 0 HB3 ASP A 35 9.549 2.404 -14.366 1.00 31.15 H new ATOM 513 N ILE A 36 5.716 4.368 -13.425 1.00 51.02 N ATOM 514 CA ILE A 36 4.277 4.333 -13.194 1.00 41.23 C ATOM 515 C ILE A 36 3.515 4.891 -14.391 1.00 54.31 C ATOM 516 O ILE A 36 3.837 5.964 -14.902 1.00 2.22 O ATOM 517 CB ILE A 36 3.889 5.131 -11.935 1.00 45.13 C ATOM 518 CG1 ILE A 36 2.367 5.192 -11.792 1.00 63.11 C ATOM 519 CG2 ILE A 36 4.478 6.533 -11.995 1.00 33.12 C ATOM 520 CD1 ILE A 36 1.906 5.545 -10.396 1.00 15.14 C ATOM 0 H ILE A 36 6.213 5.075 -12.884 1.00 51.02 H new ATOM 0 HA ILE A 36 4.006 3.287 -13.049 1.00 41.23 H new ATOM 0 HB ILE A 36 4.297 4.624 -11.061 1.00 45.13 H new ATOM 0 HG12 ILE A 36 1.973 5.928 -12.493 1.00 63.11 H new ATOM 0 HG13 ILE A 36 1.945 4.227 -12.072 1.00 63.11 H new ATOM 0 HG21 ILE A 36 4.195 7.085 -11.099 1.00 33.12 H new ATOM 0 HG22 ILE A 36 5.565 6.469 -12.054 1.00 33.12 H new ATOM 0 HG23 ILE A 36 4.097 7.051 -12.875 1.00 33.12 H new ATOM 0 HD11 ILE A 36 0.817 5.570 -10.368 1.00 15.14 H new ATOM 0 HD12 ILE A 36 2.270 4.796 -9.692 1.00 15.14 H new ATOM 0 HD13 ILE A 36 2.299 6.523 -10.120 1.00 15.14 H new ATOM 532 N LYS A 37 2.500 4.157 -14.834 1.00 15.04 N ATOM 533 CA LYS A 37 1.687 4.579 -15.969 1.00 22.43 C ATOM 534 C LYS A 37 0.280 4.958 -15.519 1.00 73.04 C ATOM 535 O LYS A 37 -0.675 4.212 -15.740 1.00 41.44 O ATOM 536 CB LYS A 37 1.617 3.463 -17.014 1.00 40.32 C ATOM 537 CG LYS A 37 2.707 3.549 -18.069 1.00 21.45 C ATOM 538 CD LYS A 37 4.080 3.288 -17.473 1.00 25.30 C ATOM 539 CE LYS A 37 4.976 4.512 -17.580 1.00 1.40 C ATOM 540 NZ LYS A 37 5.480 4.711 -18.967 1.00 3.40 N ATOM 0 H LYS A 37 2.220 3.266 -14.424 1.00 15.04 H new ATOM 0 HA LYS A 37 2.155 5.457 -16.414 1.00 22.43 H new ATOM 0 HB2 LYS A 37 1.686 2.499 -16.509 1.00 40.32 H new ATOM 0 HB3 LYS A 37 0.644 3.497 -17.505 1.00 40.32 H new ATOM 0 HG2 LYS A 37 2.508 2.825 -18.859 1.00 21.45 H new ATOM 0 HG3 LYS A 37 2.691 4.536 -18.531 1.00 21.45 H new ATOM 0 HD2 LYS A 37 3.975 3.003 -16.426 1.00 25.30 H new ATOM 0 HD3 LYS A 37 4.547 2.448 -17.987 1.00 25.30 H new ATOM 0 HE2 LYS A 37 4.422 5.396 -17.265 1.00 1.40 H new ATOM 0 HE3 LYS A 37 5.820 4.405 -16.899 1.00 1.40 H new ATOM 0 HZ1 LYS A 37 6.087 5.555 -18.998 1.00 3.40 H new ATOM 0 HZ2 LYS A 37 6.030 3.878 -19.259 1.00 3.40 H new ATOM 0 HZ3 LYS A 37 4.676 4.839 -19.614 1.00 3.40 H new ATOM 554 N TYR A 38 0.158 6.121 -14.890 1.00 2.24 N ATOM 555 CA TYR A 38 -1.133 6.599 -14.409 1.00 22.32 C ATOM 556 C TYR A 38 -1.477 7.951 -15.025 1.00 14.10 C ATOM 557 O TYR A 38 -0.593 8.746 -15.339 1.00 3.24 O ATOM 558 CB TYR A 38 -1.124 6.708 -12.883 1.00 44.41 C ATOM 559 CG TYR A 38 -2.088 7.741 -12.344 1.00 72.54 C ATOM 560 CD1 TYR A 38 -3.456 7.495 -12.318 1.00 24.23 C ATOM 561 CD2 TYR A 38 -1.633 8.962 -11.863 1.00 63.40 C ATOM 562 CE1 TYR A 38 -4.341 8.435 -11.827 1.00 41.01 C ATOM 563 CE2 TYR A 38 -2.511 9.907 -11.369 1.00 45.12 C ATOM 564 CZ TYR A 38 -3.864 9.639 -11.354 1.00 5.35 C ATOM 565 OH TYR A 38 -4.741 10.579 -10.864 1.00 13.12 O ATOM 0 H TYR A 38 0.938 6.751 -14.701 1.00 2.24 H new ATOM 0 HA TYR A 38 -1.894 5.879 -14.710 1.00 22.32 H new ATOM 0 HB2 TYR A 38 -1.370 5.736 -12.456 1.00 44.41 H new ATOM 0 HB3 TYR A 38 -0.116 6.956 -12.551 1.00 44.41 H new ATOM 0 HD1 TYR A 38 -3.833 6.553 -12.688 1.00 24.23 H new ATOM 0 HD2 TYR A 38 -0.575 9.176 -11.875 1.00 63.40 H new ATOM 0 HE1 TYR A 38 -5.401 8.228 -11.814 1.00 41.01 H new ATOM 0 HE2 TYR A 38 -2.140 10.850 -10.997 1.00 45.12 H new ATOM 0 HH TYR A 38 -5.199 10.220 -10.075 1.00 13.12 H new ATOM 575 N ASN A 39 -2.771 8.204 -15.195 1.00 11.34 N ATOM 576 CA ASN A 39 -3.235 9.460 -15.773 1.00 43.31 C ATOM 577 C ASN A 39 -4.693 9.721 -15.410 1.00 75.31 C ATOM 578 O ASN A 39 -5.449 8.790 -15.128 1.00 50.14 O ATOM 579 CB ASN A 39 -3.072 9.436 -17.294 1.00 75.23 C ATOM 580 CG ASN A 39 -2.698 10.793 -17.858 1.00 24.13 C ATOM 581 OD1 ASN A 39 -3.385 11.328 -18.728 1.00 31.42 O ATOM 582 ND2 ASN A 39 -1.602 11.357 -17.363 1.00 21.33 N ATOM 0 H ASN A 39 -3.516 7.556 -14.941 1.00 11.34 H new ATOM 0 HA ASN A 39 -2.628 10.266 -15.362 1.00 43.31 H new ATOM 0 HB2 ASN A 39 -2.305 8.710 -17.563 1.00 75.23 H new ATOM 0 HB3 ASN A 39 -4.003 9.100 -17.751 1.00 75.23 H new ATOM 0 HD21 ASN A 39 -1.300 12.270 -17.704 1.00 21.33 H new ATOM 0 HD22 ASN A 39 -1.063 10.877 -16.642 1.00 21.33 H new ATOM 589 N ILE A 40 -5.082 10.991 -15.420 1.00 10.33 N ATOM 590 CA ILE A 40 -6.450 11.374 -15.093 1.00 72.34 C ATOM 591 C ILE A 40 -7.099 12.131 -16.247 1.00 33.11 C ATOM 592 O ILE A 40 -6.618 13.186 -16.660 1.00 64.35 O ATOM 593 CB ILE A 40 -6.504 12.247 -13.826 1.00 45.21 C ATOM 594 CG1 ILE A 40 -5.089 12.626 -13.382 1.00 14.43 C ATOM 595 CG2 ILE A 40 -7.237 11.518 -12.711 1.00 34.04 C ATOM 596 CD1 ILE A 40 -5.056 13.468 -12.125 1.00 51.34 C ATOM 0 H ILE A 40 -4.469 11.773 -15.651 1.00 10.33 H new ATOM 0 HA ILE A 40 -7.001 10.451 -14.911 1.00 72.34 H new ATOM 0 HB ILE A 40 -7.051 13.162 -14.055 1.00 45.21 H new ATOM 0 HG12 ILE A 40 -4.513 11.716 -13.215 1.00 14.43 H new ATOM 0 HG13 ILE A 40 -4.598 13.171 -14.188 1.00 14.43 H new ATOM 0 HG21 ILE A 40 -7.267 12.148 -11.822 1.00 34.04 H new ATOM 0 HG22 ILE A 40 -8.255 11.293 -13.031 1.00 34.04 H new ATOM 0 HG23 ILE A 40 -6.716 10.589 -12.480 1.00 34.04 H new ATOM 0 HD11 ILE A 40 -4.022 13.699 -11.869 1.00 51.34 H new ATOM 0 HD12 ILE A 40 -5.604 14.395 -12.294 1.00 51.34 H new ATOM 0 HD13 ILE A 40 -5.518 12.917 -11.306 1.00 51.34 H new ATOM 608 N PHE A 41 -8.197 11.586 -16.762 1.00 1.45 N ATOM 609 CA PHE A 41 -8.914 12.211 -17.867 1.00 62.23 C ATOM 610 C PHE A 41 -10.400 12.340 -17.548 1.00 33.01 C ATOM 611 O PHE A 41 -10.967 11.513 -16.832 1.00 55.33 O ATOM 612 CB PHE A 41 -8.725 11.397 -19.149 1.00 41.45 C ATOM 613 CG PHE A 41 -8.762 9.912 -18.928 1.00 43.31 C ATOM 614 CD1 PHE A 41 -9.963 9.264 -18.689 1.00 64.31 C ATOM 615 CD2 PHE A 41 -7.596 9.165 -18.959 1.00 64.35 C ATOM 616 CE1 PHE A 41 -9.999 7.897 -18.484 1.00 40.43 C ATOM 617 CE2 PHE A 41 -7.626 7.798 -18.756 1.00 22.12 C ATOM 618 CZ PHE A 41 -8.829 7.163 -18.519 1.00 14.41 C ATOM 0 H PHE A 41 -8.609 10.713 -16.432 1.00 1.45 H new ATOM 0 HA PHE A 41 -8.505 13.210 -18.014 1.00 62.23 H new ATOM 0 HB2 PHE A 41 -9.504 11.670 -19.861 1.00 41.45 H new ATOM 0 HB3 PHE A 41 -7.771 11.665 -19.602 1.00 41.45 H new ATOM 0 HD1 PHE A 41 -10.881 9.833 -18.663 1.00 64.31 H new ATOM 0 HD2 PHE A 41 -6.652 9.656 -19.144 1.00 64.35 H new ATOM 0 HE1 PHE A 41 -10.941 7.403 -18.297 1.00 40.43 H new ATOM 0 HE2 PHE A 41 -6.710 7.227 -18.783 1.00 22.12 H new ATOM 0 HZ PHE A 41 -8.855 6.095 -18.361 1.00 14.41 H new ATOM 628 N LEU A 42 -11.026 13.383 -18.083 1.00 25.22 N ATOM 629 CA LEU A 42 -12.446 13.622 -17.855 1.00 55.23 C ATOM 630 C LEU A 42 -13.255 13.341 -19.118 1.00 31.23 C ATOM 631 O LEU A 42 -12.944 13.852 -20.194 1.00 14.45 O ATOM 632 CB LEU A 42 -12.674 15.065 -17.401 1.00 34.11 C ATOM 633 CG LEU A 42 -13.985 15.337 -16.662 1.00 30.44 C ATOM 634 CD1 LEU A 42 -13.900 16.642 -15.886 1.00 42.12 C ATOM 635 CD2 LEU A 42 -15.151 15.369 -17.638 1.00 55.43 C ATOM 0 H LEU A 42 -10.572 14.076 -18.678 1.00 25.22 H new ATOM 0 HA LEU A 42 -12.782 12.943 -17.071 1.00 55.23 H new ATOM 0 HB2 LEU A 42 -11.848 15.356 -16.752 1.00 34.11 H new ATOM 0 HB3 LEU A 42 -12.634 15.711 -18.278 1.00 34.11 H new ATOM 0 HG LEU A 42 -14.154 14.527 -15.952 1.00 30.44 H new ATOM 0 HD11 LEU A 42 -14.842 16.819 -15.367 1.00 42.12 H new ATOM 0 HD12 LEU A 42 -13.091 16.581 -15.159 1.00 42.12 H new ATOM 0 HD13 LEU A 42 -13.706 17.464 -16.576 1.00 42.12 H new ATOM 0 HD21 LEU A 42 -16.075 15.564 -17.094 1.00 55.43 H new ATOM 0 HD22 LEU A 42 -14.989 16.158 -18.373 1.00 55.43 H new ATOM 0 HD23 LEU A 42 -15.225 14.408 -18.148 1.00 55.43 H new ATOM 647 N VAL A 43 -14.296 12.525 -18.978 1.00 44.54 N ATOM 648 CA VAL A 43 -15.151 12.179 -20.107 1.00 35.43 C ATOM 649 C VAL A 43 -16.454 12.969 -20.072 1.00 15.34 C ATOM 650 O VAL A 43 -17.058 13.145 -19.013 1.00 22.52 O ATOM 651 CB VAL A 43 -15.477 10.673 -20.122 1.00 15.31 C ATOM 652 CG1 VAL A 43 -14.338 9.874 -19.508 1.00 71.23 C ATOM 653 CG2 VAL A 43 -16.783 10.404 -19.390 1.00 15.02 C ATOM 0 H VAL A 43 -14.567 12.092 -18.095 1.00 44.54 H new ATOM 0 HA VAL A 43 -14.600 12.434 -21.012 1.00 35.43 H new ATOM 0 HB VAL A 43 -15.595 10.355 -21.158 1.00 15.31 H new ATOM 0 HG11 VAL A 43 -14.586 8.813 -19.527 1.00 71.23 H new ATOM 0 HG12 VAL A 43 -13.425 10.044 -20.079 1.00 71.23 H new ATOM 0 HG13 VAL A 43 -14.185 10.192 -18.477 1.00 71.23 H new ATOM 0 HG21 VAL A 43 -16.998 9.336 -19.410 1.00 15.02 H new ATOM 0 HG22 VAL A 43 -16.696 10.737 -18.356 1.00 15.02 H new ATOM 0 HG23 VAL A 43 -17.592 10.946 -19.879 1.00 15.02 H new ATOM 663 N ASP A 44 -16.883 13.444 -21.236 1.00 12.23 N ATOM 664 CA ASP A 44 -18.116 14.216 -21.339 1.00 75.43 C ATOM 665 C ASP A 44 -18.984 13.703 -22.485 1.00 24.22 C ATOM 666 O ASP A 44 -18.632 13.847 -23.657 1.00 13.55 O ATOM 667 CB ASP A 44 -17.800 15.698 -21.546 1.00 73.44 C ATOM 668 CG ASP A 44 -16.568 15.912 -22.403 1.00 52.52 C ATOM 669 OD1 ASP A 44 -16.415 15.193 -23.412 1.00 51.43 O ATOM 670 OD2 ASP A 44 -15.757 16.799 -22.064 1.00 45.31 O ATOM 0 H ASP A 44 -16.395 13.308 -22.121 1.00 12.23 H new ATOM 0 HA ASP A 44 -18.669 14.098 -20.407 1.00 75.43 H new ATOM 0 HB2 ASP A 44 -18.654 16.187 -22.014 1.00 73.44 H new ATOM 0 HB3 ASP A 44 -17.652 16.174 -20.577 1.00 73.44 H new ATOM 675 N LEU A 45 -20.117 13.102 -22.139 1.00 10.40 N ATOM 676 CA LEU A 45 -21.035 12.567 -23.138 1.00 62.53 C ATOM 677 C LEU A 45 -22.471 12.583 -22.624 1.00 5.15 C ATOM 678 O LEU A 45 -22.708 12.538 -21.416 1.00 55.33 O ATOM 679 CB LEU A 45 -20.633 11.140 -23.516 1.00 23.33 C ATOM 680 CG LEU A 45 -20.453 10.866 -25.009 1.00 62.13 C ATOM 681 CD1 LEU A 45 -21.789 10.946 -25.731 1.00 42.44 C ATOM 682 CD2 LEU A 45 -19.457 11.845 -25.615 1.00 33.42 C ATOM 0 H LEU A 45 -20.422 12.973 -21.174 1.00 10.40 H new ATOM 0 HA LEU A 45 -20.979 13.201 -24.023 1.00 62.53 H new ATOM 0 HB2 LEU A 45 -19.699 10.901 -23.008 1.00 23.33 H new ATOM 0 HB3 LEU A 45 -21.390 10.457 -23.130 1.00 23.33 H new ATOM 0 HG LEU A 45 -20.059 9.857 -25.129 1.00 62.13 H new ATOM 0 HD11 LEU A 45 -21.641 10.748 -26.793 1.00 42.44 H new ATOM 0 HD12 LEU A 45 -22.472 10.205 -25.315 1.00 42.44 H new ATOM 0 HD13 LEU A 45 -22.213 11.942 -25.603 1.00 42.44 H new ATOM 0 HD21 LEU A 45 -19.341 11.635 -26.678 1.00 33.42 H new ATOM 0 HD22 LEU A 45 -19.822 12.864 -25.484 1.00 33.42 H new ATOM 0 HD23 LEU A 45 -18.493 11.738 -25.117 1.00 33.42 H new ATOM 694 N TYR A 46 -23.424 12.646 -23.547 1.00 23.44 N ATOM 695 CA TYR A 46 -24.836 12.668 -23.186 1.00 53.03 C ATOM 696 C TYR A 46 -25.176 13.926 -22.393 1.00 53.10 C ATOM 697 O TYR A 46 -26.050 13.911 -21.527 1.00 74.15 O ATOM 698 CB TYR A 46 -25.196 11.425 -22.371 1.00 31.21 C ATOM 699 CG TYR A 46 -24.783 10.128 -23.030 1.00 55.11 C ATOM 700 CD1 TYR A 46 -25.489 9.621 -24.114 1.00 53.52 C ATOM 701 CD2 TYR A 46 -23.687 9.410 -22.569 1.00 2.00 C ATOM 702 CE1 TYR A 46 -25.116 8.437 -24.719 1.00 32.22 C ATOM 703 CE2 TYR A 46 -23.306 8.225 -23.168 1.00 44.14 C ATOM 704 CZ TYR A 46 -24.024 7.742 -24.243 1.00 3.54 C ATOM 705 OH TYR A 46 -23.648 6.563 -24.843 1.00 60.30 O ATOM 0 H TYR A 46 -23.244 12.683 -24.550 1.00 23.44 H new ATOM 0 HA TYR A 46 -25.420 12.672 -24.107 1.00 53.03 H new ATOM 0 HB2 TYR A 46 -24.721 11.493 -21.392 1.00 31.21 H new ATOM 0 HB3 TYR A 46 -26.273 11.410 -22.203 1.00 31.21 H new ATOM 0 HD1 TYR A 46 -26.345 10.162 -24.490 1.00 53.52 H new ATOM 0 HD2 TYR A 46 -23.123 9.785 -21.728 1.00 2.00 H new ATOM 0 HE1 TYR A 46 -25.676 8.057 -25.560 1.00 32.22 H new ATOM 0 HE2 TYR A 46 -22.451 7.680 -22.797 1.00 44.14 H new ATOM 0 HH TYR A 46 -22.859 6.201 -24.387 1.00 60.30 H new ATOM 715 N GLY A 47 -24.478 15.016 -22.696 1.00 43.14 N ATOM 716 CA GLY A 47 -24.719 16.269 -22.004 1.00 73.52 C ATOM 717 C GLY A 47 -24.365 16.195 -20.532 1.00 50.12 C ATOM 718 O GLY A 47 -24.867 16.979 -19.727 1.00 71.13 O ATOM 0 H GLY A 47 -23.749 15.054 -23.409 1.00 43.14 H new ATOM 0 HA2 GLY A 47 -24.135 17.059 -22.476 1.00 73.52 H new ATOM 0 HA3 GLY A 47 -25.769 16.542 -22.109 1.00 73.52 H new ATOM 722 N GLN A 48 -23.499 15.250 -20.180 1.00 14.11 N ATOM 723 CA GLN A 48 -23.081 15.076 -18.794 1.00 10.30 C ATOM 724 C GLN A 48 -21.562 14.979 -18.692 1.00 15.12 C ATOM 725 O GLN A 48 -20.885 14.636 -19.661 1.00 22.43 O ATOM 726 CB GLN A 48 -23.725 13.824 -18.198 1.00 34.51 C ATOM 727 CG GLN A 48 -25.235 13.926 -18.054 1.00 73.42 C ATOM 728 CD GLN A 48 -25.653 14.771 -16.867 1.00 63.10 C ATOM 729 OE1 GLN A 48 -25.798 14.268 -15.752 1.00 45.04 O ATOM 730 NE2 GLN A 48 -25.849 16.063 -17.100 1.00 4.50 N ATOM 0 H GLN A 48 -23.074 14.594 -20.835 1.00 14.11 H new ATOM 0 HA GLN A 48 -23.410 15.948 -18.229 1.00 10.30 H new ATOM 0 HB2 GLN A 48 -23.486 12.967 -18.828 1.00 34.51 H new ATOM 0 HB3 GLN A 48 -23.287 13.632 -17.219 1.00 34.51 H new ATOM 0 HG2 GLN A 48 -25.655 14.353 -18.965 1.00 73.42 H new ATOM 0 HG3 GLN A 48 -25.654 12.925 -17.948 1.00 73.42 H new ATOM 0 HE21 GLN A 48 -25.717 16.437 -18.040 1.00 4.50 H new ATOM 0 HE22 GLN A 48 -26.131 16.681 -16.339 1.00 4.50 H new ATOM 739 N LYS A 49 -21.033 15.284 -17.512 1.00 11.31 N ATOM 740 CA LYS A 49 -19.594 15.231 -17.281 1.00 74.14 C ATOM 741 C LYS A 49 -19.253 14.204 -16.207 1.00 33.33 C ATOM 742 O LYS A 49 -19.986 14.047 -15.230 1.00 21.34 O ATOM 743 CB LYS A 49 -19.072 16.609 -16.869 1.00 63.11 C ATOM 744 CG LYS A 49 -19.155 17.647 -17.975 1.00 23.21 C ATOM 745 CD LYS A 49 -20.359 18.556 -17.797 1.00 74.32 C ATOM 746 CE LYS A 49 -19.943 20.012 -17.654 1.00 22.51 C ATOM 747 NZ LYS A 49 -21.035 20.847 -17.083 1.00 51.41 N ATOM 0 H LYS A 49 -21.580 15.571 -16.700 1.00 11.31 H new ATOM 0 HA LYS A 49 -19.112 14.930 -18.212 1.00 74.14 H new ATOM 0 HB2 LYS A 49 -19.641 16.961 -16.008 1.00 63.11 H new ATOM 0 HB3 LYS A 49 -18.035 16.514 -16.548 1.00 63.11 H new ATOM 0 HG2 LYS A 49 -18.244 18.246 -17.983 1.00 23.21 H new ATOM 0 HG3 LYS A 49 -19.216 17.146 -18.941 1.00 23.21 H new ATOM 0 HD2 LYS A 49 -21.026 18.450 -18.653 1.00 74.32 H new ATOM 0 HD3 LYS A 49 -20.921 18.249 -16.915 1.00 74.32 H new ATOM 0 HE2 LYS A 49 -19.063 20.077 -17.014 1.00 22.51 H new ATOM 0 HE3 LYS A 49 -19.657 20.406 -18.629 1.00 22.51 H new ATOM 0 HZ1 LYS A 49 -20.712 21.832 -17.001 1.00 51.41 H new ATOM 0 HZ2 LYS A 49 -21.866 20.805 -17.707 1.00 51.41 H new ATOM 0 HZ3 LYS A 49 -21.291 20.487 -16.141 1.00 51.41 H new ATOM 761 N TYR A 50 -18.137 13.508 -16.393 1.00 11.02 N ATOM 762 CA TYR A 50 -17.700 12.495 -15.439 1.00 42.24 C ATOM 763 C TYR A 50 -16.177 12.440 -15.363 1.00 50.41 C ATOM 764 O TYR A 50 -15.485 12.685 -16.352 1.00 21.34 O ATOM 765 CB TYR A 50 -18.252 11.124 -15.831 1.00 64.45 C ATOM 766 CG TYR A 50 -19.726 11.137 -16.166 1.00 11.11 C ATOM 767 CD1 TYR A 50 -20.171 11.544 -17.418 1.00 4.51 C ATOM 768 CD2 TYR A 50 -20.675 10.744 -15.230 1.00 63.32 C ATOM 769 CE1 TYR A 50 -21.517 11.559 -17.728 1.00 2.21 C ATOM 770 CE2 TYR A 50 -22.023 10.754 -15.532 1.00 23.11 C ATOM 771 CZ TYR A 50 -22.439 11.163 -16.782 1.00 22.41 C ATOM 772 OH TYR A 50 -23.781 11.175 -17.086 1.00 2.52 O ATOM 0 H TYR A 50 -17.518 13.627 -17.195 1.00 11.02 H new ATOM 0 HA TYR A 50 -18.085 12.767 -14.456 1.00 42.24 H new ATOM 0 HB2 TYR A 50 -17.696 10.750 -16.691 1.00 64.45 H new ATOM 0 HB3 TYR A 50 -18.080 10.425 -15.012 1.00 64.45 H new ATOM 0 HD1 TYR A 50 -19.452 11.854 -18.162 1.00 4.51 H new ATOM 0 HD2 TYR A 50 -20.353 10.425 -14.250 1.00 63.32 H new ATOM 0 HE1 TYR A 50 -21.845 11.879 -18.706 1.00 2.21 H new ATOM 0 HE2 TYR A 50 -22.747 10.443 -14.793 1.00 23.11 H new ATOM 0 HH TYR A 50 -24.295 10.866 -16.311 1.00 2.52 H new ATOM 782 N PHE A 51 -15.662 12.117 -14.182 1.00 3.14 N ATOM 783 CA PHE A 51 -14.221 12.030 -13.974 1.00 20.21 C ATOM 784 C PHE A 51 -13.762 10.575 -13.949 1.00 72.32 C ATOM 785 O PHE A 51 -14.341 9.742 -13.251 1.00 3.12 O ATOM 786 CB PHE A 51 -13.830 12.722 -12.667 1.00 21.14 C ATOM 787 CG PHE A 51 -14.015 14.212 -12.699 1.00 11.14 C ATOM 788 CD1 PHE A 51 -15.282 14.764 -12.795 1.00 74.02 C ATOM 789 CD2 PHE A 51 -12.922 15.061 -12.631 1.00 72.04 C ATOM 790 CE1 PHE A 51 -15.455 16.135 -12.826 1.00 34.24 C ATOM 791 CE2 PHE A 51 -13.089 16.433 -12.661 1.00 31.21 C ATOM 792 CZ PHE A 51 -14.358 16.970 -12.757 1.00 44.31 C ATOM 0 H PHE A 51 -16.221 11.911 -13.354 1.00 3.14 H new ATOM 0 HA PHE A 51 -13.728 12.534 -14.805 1.00 20.21 H new ATOM 0 HB2 PHE A 51 -14.425 12.307 -11.853 1.00 21.14 H new ATOM 0 HB3 PHE A 51 -12.787 12.498 -12.445 1.00 21.14 H new ATOM 0 HD1 PHE A 51 -16.144 14.116 -12.846 1.00 74.02 H new ATOM 0 HD2 PHE A 51 -11.928 14.646 -12.554 1.00 72.04 H new ATOM 0 HE1 PHE A 51 -16.448 16.553 -12.904 1.00 34.24 H new ATOM 0 HE2 PHE A 51 -12.229 17.084 -12.609 1.00 31.21 H new ATOM 0 HZ PHE A 51 -14.492 18.041 -12.778 1.00 44.31 H new ATOM 802 N ARG A 52 -12.719 10.276 -14.717 1.00 12.31 N ATOM 803 CA ARG A 52 -12.183 8.922 -14.785 1.00 54.11 C ATOM 804 C ARG A 52 -10.661 8.934 -14.675 1.00 75.53 C ATOM 805 O ARG A 52 -9.999 9.834 -15.191 1.00 50.22 O ATOM 806 CB ARG A 52 -12.606 8.249 -16.092 1.00 71.30 C ATOM 807 CG ARG A 52 -12.717 6.736 -15.990 1.00 3.22 C ATOM 808 CD ARG A 52 -11.347 6.076 -15.987 1.00 44.44 C ATOM 809 NE ARG A 52 -11.219 5.077 -17.045 1.00 5.13 N ATOM 810 CZ ARG A 52 -10.329 4.091 -17.020 1.00 44.23 C ATOM 811 NH1 ARG A 52 -9.493 3.973 -15.997 1.00 52.05 N ATOM 812 NH2 ARG A 52 -10.273 3.221 -18.020 1.00 74.41 N ATOM 0 H ARG A 52 -12.229 10.953 -15.301 1.00 12.31 H new ATOM 0 HA ARG A 52 -12.586 8.355 -13.946 1.00 54.11 H new ATOM 0 HB2 ARG A 52 -13.568 8.655 -16.405 1.00 71.30 H new ATOM 0 HB3 ARG A 52 -11.885 8.500 -16.870 1.00 71.30 H new ATOM 0 HG2 ARG A 52 -13.252 6.470 -15.078 1.00 3.22 H new ATOM 0 HG3 ARG A 52 -13.303 6.356 -16.826 1.00 3.22 H new ATOM 0 HD2 ARG A 52 -10.577 6.838 -16.112 1.00 44.44 H new ATOM 0 HD3 ARG A 52 -11.174 5.604 -15.020 1.00 44.44 H new ATOM 0 HE ARG A 52 -11.847 5.140 -17.846 1.00 5.13 H new ATOM 0 HH11 ARG A 52 -9.532 4.640 -15.227 1.00 52.05 H new ATOM 0 HH12 ARG A 52 -8.811 3.215 -15.981 1.00 52.05 H new ATOM 0 HH21 ARG A 52 -10.914 3.309 -18.809 1.00 74.41 H new ATOM 0 HH22 ARG A 52 -9.589 2.464 -18.000 1.00 74.41 H new ATOM 826 N ILE A 53 -10.115 7.928 -14.000 1.00 3.30 N ATOM 827 CA ILE A 53 -8.672 7.823 -13.823 1.00 63.13 C ATOM 828 C ILE A 53 -8.176 6.423 -14.172 1.00 10.53 C ATOM 829 O ILE A 53 -8.771 5.424 -13.768 1.00 31.54 O ATOM 830 CB ILE A 53 -8.255 8.158 -12.379 1.00 33.01 C ATOM 831 CG1 ILE A 53 -8.220 6.887 -11.527 1.00 51.33 C ATOM 832 CG2 ILE A 53 -9.208 9.180 -11.777 1.00 33.55 C ATOM 833 CD1 ILE A 53 -6.907 6.141 -11.609 1.00 42.14 C ATOM 0 H ILE A 53 -10.650 7.175 -13.567 1.00 3.30 H new ATOM 0 HA ILE A 53 -8.218 8.547 -14.500 1.00 63.13 H new ATOM 0 HB ILE A 53 -7.254 8.589 -12.396 1.00 33.01 H new ATOM 0 HG12 ILE A 53 -8.415 7.151 -10.487 1.00 51.33 H new ATOM 0 HG13 ILE A 53 -9.025 6.225 -11.844 1.00 51.33 H new ATOM 0 HG21 ILE A 53 -8.901 9.407 -10.756 1.00 33.55 H new ATOM 0 HG22 ILE A 53 -9.188 10.092 -12.373 1.00 33.55 H new ATOM 0 HG23 ILE A 53 -10.220 8.774 -11.770 1.00 33.55 H new ATOM 0 HD11 ILE A 53 -6.954 5.252 -10.981 1.00 42.14 H new ATOM 0 HD12 ILE A 53 -6.720 5.846 -12.642 1.00 42.14 H new ATOM 0 HD13 ILE A 53 -6.099 6.787 -11.264 1.00 42.14 H new ATOM 845 N LEU A 54 -7.082 6.359 -14.922 1.00 50.35 N ATOM 846 CA LEU A 54 -6.504 5.082 -15.324 1.00 63.33 C ATOM 847 C LEU A 54 -5.092 4.924 -14.769 1.00 0.15 C ATOM 848 O LEU A 54 -4.194 5.700 -15.097 1.00 31.03 O ATOM 849 CB LEU A 54 -6.479 4.968 -16.850 1.00 32.24 C ATOM 850 CG LEU A 54 -6.524 3.549 -17.417 1.00 64.25 C ATOM 851 CD1 LEU A 54 -6.100 3.545 -18.878 1.00 60.11 C ATOM 852 CD2 LEU A 54 -5.638 2.620 -16.601 1.00 25.52 C ATOM 0 H LEU A 54 -6.577 7.177 -15.264 1.00 50.35 H new ATOM 0 HA LEU A 54 -7.127 4.286 -14.916 1.00 63.33 H new ATOM 0 HB2 LEU A 54 -7.326 5.525 -17.250 1.00 32.24 H new ATOM 0 HB3 LEU A 54 -5.576 5.456 -17.216 1.00 32.24 H new ATOM 0 HG LEU A 54 -7.550 3.186 -17.356 1.00 64.25 H new ATOM 0 HD11 LEU A 54 -6.138 2.527 -19.265 1.00 60.11 H new ATOM 0 HD12 LEU A 54 -6.775 4.178 -19.454 1.00 60.11 H new ATOM 0 HD13 LEU A 54 -5.083 3.928 -18.963 1.00 60.11 H new ATOM 0 HD21 LEU A 54 -5.683 1.614 -17.019 1.00 25.52 H new ATOM 0 HD22 LEU A 54 -4.609 2.980 -16.630 1.00 25.52 H new ATOM 0 HD23 LEU A 54 -5.986 2.599 -15.568 1.00 25.52 H new ATOM 864 N PHE A 55 -4.903 3.913 -13.927 1.00 5.53 N ATOM 865 CA PHE A 55 -3.600 3.653 -13.326 1.00 25.10 C ATOM 866 C PHE A 55 -3.125 2.239 -13.648 1.00 71.13 C ATOM 867 O PHE A 55 -3.769 1.258 -13.278 1.00 13.03 O ATOM 868 CB PHE A 55 -3.665 3.848 -11.810 1.00 31.32 C ATOM 869 CG PHE A 55 -2.506 3.236 -11.076 1.00 42.51 C ATOM 870 CD1 PHE A 55 -1.226 3.297 -11.603 1.00 62.13 C ATOM 871 CD2 PHE A 55 -2.696 2.602 -9.859 1.00 63.12 C ATOM 872 CE1 PHE A 55 -0.157 2.735 -10.931 1.00 35.44 C ATOM 873 CE2 PHE A 55 -1.631 2.038 -9.182 1.00 11.04 C ATOM 874 CZ PHE A 55 -0.360 2.105 -9.718 1.00 11.53 C ATOM 0 H PHE A 55 -5.635 3.261 -13.646 1.00 5.53 H new ATOM 0 HA PHE A 55 -2.887 4.362 -13.746 1.00 25.10 H new ATOM 0 HB2 PHE A 55 -3.701 4.915 -11.590 1.00 31.32 H new ATOM 0 HB3 PHE A 55 -4.592 3.414 -11.435 1.00 31.32 H new ATOM 0 HD1 PHE A 55 -1.062 3.789 -12.550 1.00 62.13 H new ATOM 0 HD2 PHE A 55 -3.688 2.548 -9.434 1.00 63.12 H new ATOM 0 HE1 PHE A 55 0.836 2.788 -11.353 1.00 35.44 H new ATOM 0 HE2 PHE A 55 -1.793 1.545 -8.235 1.00 11.04 H new ATOM 0 HZ PHE A 55 0.474 1.666 -9.190 1.00 11.53 H new ATOM 884 N GLN A 56 -1.995 2.144 -14.341 1.00 61.02 N ATOM 885 CA GLN A 56 -1.435 0.851 -14.715 1.00 22.42 C ATOM 886 C GLN A 56 0.073 0.823 -14.485 1.00 14.24 C ATOM 887 O GLN A 56 0.739 1.856 -14.547 1.00 12.52 O ATOM 888 CB GLN A 56 -1.745 0.541 -16.180 1.00 44.04 C ATOM 889 CG GLN A 56 -1.464 1.703 -17.120 1.00 62.50 C ATOM 890 CD GLN A 56 -1.967 1.449 -18.528 1.00 5.24 C ATOM 891 OE1 GLN A 56 -1.759 0.373 -19.089 1.00 45.33 O ATOM 892 NE2 GLN A 56 -2.633 2.441 -19.106 1.00 40.40 N ATOM 0 H GLN A 56 -1.450 2.947 -14.655 1.00 61.02 H new ATOM 0 HA GLN A 56 -1.894 0.089 -14.085 1.00 22.42 H new ATOM 0 HB2 GLN A 56 -1.155 -0.320 -16.493 1.00 44.04 H new ATOM 0 HB3 GLN A 56 -2.794 0.258 -16.269 1.00 44.04 H new ATOM 0 HG2 GLN A 56 -1.934 2.605 -16.727 1.00 62.50 H new ATOM 0 HG3 GLN A 56 -0.391 1.890 -17.150 1.00 62.50 H new ATOM 0 HE21 GLN A 56 -2.782 3.316 -18.604 1.00 40.40 H new ATOM 0 HE22 GLN A 56 -2.996 2.328 -20.053 1.00 40.40 H new ATOM 901 N SER A 57 0.604 -0.366 -14.218 1.00 42.42 N ATOM 902 CA SER A 57 2.033 -0.527 -13.974 1.00 52.14 C ATOM 903 C SER A 57 2.707 -1.238 -15.144 1.00 75.10 C ATOM 904 O SER A 57 2.051 -1.628 -16.110 1.00 73.13 O ATOM 905 CB SER A 57 2.266 -1.313 -12.682 1.00 53.55 C ATOM 906 OG SER A 57 1.296 -0.983 -11.703 1.00 51.13 O ATOM 0 H SER A 57 0.067 -1.231 -14.165 1.00 42.42 H new ATOM 0 HA SER A 57 2.473 0.465 -13.872 1.00 52.14 H new ATOM 0 HB2 SER A 57 2.227 -2.382 -12.891 1.00 53.55 H new ATOM 0 HB3 SER A 57 3.263 -1.099 -12.297 1.00 53.55 H new ATOM 0 HG SER A 57 0.444 -1.412 -11.928 1.00 51.13 H new ATOM 912 N LYS A 58 4.021 -1.404 -15.049 1.00 45.33 N ATOM 913 CA LYS A 58 4.787 -2.069 -16.097 1.00 52.42 C ATOM 914 C LYS A 58 5.001 -3.542 -15.763 1.00 55.44 C ATOM 915 O LYS A 58 5.422 -4.327 -16.613 1.00 53.21 O ATOM 916 CB LYS A 58 6.138 -1.377 -16.287 1.00 44.43 C ATOM 917 CG LYS A 58 6.646 -1.417 -17.718 1.00 45.11 C ATOM 918 CD LYS A 58 5.948 -0.385 -18.587 1.00 55.03 C ATOM 919 CE LYS A 58 6.733 0.916 -18.648 1.00 53.32 C ATOM 920 NZ LYS A 58 7.943 0.794 -19.507 1.00 2.11 N ATOM 0 H LYS A 58 4.579 -1.087 -14.256 1.00 45.33 H new ATOM 0 HA LYS A 58 4.219 -2.004 -17.025 1.00 52.42 H new ATOM 0 HB2 LYS A 58 6.052 -0.338 -15.970 1.00 44.43 H new ATOM 0 HB3 LYS A 58 6.874 -1.849 -15.636 1.00 44.43 H new ATOM 0 HG2 LYS A 58 7.721 -1.236 -17.729 1.00 45.11 H new ATOM 0 HG3 LYS A 58 6.486 -2.412 -18.134 1.00 45.11 H new ATOM 0 HD2 LYS A 58 5.821 -0.782 -19.594 1.00 55.03 H new ATOM 0 HD3 LYS A 58 4.950 -0.191 -18.193 1.00 55.03 H new ATOM 0 HE2 LYS A 58 6.092 1.709 -19.034 1.00 53.32 H new ATOM 0 HE3 LYS A 58 7.031 1.208 -17.641 1.00 53.32 H new ATOM 0 HZ1 LYS A 58 8.327 1.741 -19.703 1.00 2.11 H new ATOM 0 HZ2 LYS A 58 8.661 0.224 -19.016 1.00 2.11 H new ATOM 0 HZ3 LYS A 58 7.687 0.332 -20.403 1.00 2.11 H new ATOM 934 N LYS A 59 4.706 -3.911 -14.521 1.00 43.24 N ATOM 935 CA LYS A 59 4.863 -5.290 -14.075 1.00 62.13 C ATOM 936 C LYS A 59 3.556 -6.062 -14.225 1.00 64.53 C ATOM 937 O LYS A 59 3.502 -7.266 -13.968 1.00 53.13 O ATOM 938 CB LYS A 59 5.325 -5.327 -12.617 1.00 12.54 C ATOM 939 CG LYS A 59 6.357 -4.264 -12.279 1.00 33.54 C ATOM 940 CD LYS A 59 7.520 -4.286 -13.256 1.00 52.22 C ATOM 941 CE LYS A 59 8.196 -5.648 -13.288 1.00 3.31 C ATOM 942 NZ LYS A 59 9.602 -5.558 -13.773 1.00 15.25 N ATOM 0 H LYS A 59 4.357 -3.274 -13.805 1.00 43.24 H new ATOM 0 HA LYS A 59 5.619 -5.764 -14.701 1.00 62.13 H new ATOM 0 HB2 LYS A 59 4.459 -5.201 -11.967 1.00 12.54 H new ATOM 0 HB3 LYS A 59 5.744 -6.310 -12.402 1.00 12.54 H new ATOM 0 HG2 LYS A 59 5.886 -3.281 -12.294 1.00 33.54 H new ATOM 0 HG3 LYS A 59 6.728 -4.424 -11.267 1.00 33.54 H new ATOM 0 HD2 LYS A 59 7.163 -4.033 -14.254 1.00 52.22 H new ATOM 0 HD3 LYS A 59 8.247 -3.524 -12.975 1.00 52.22 H new ATOM 0 HE2 LYS A 59 8.184 -6.083 -12.289 1.00 3.31 H new ATOM 0 HE3 LYS A 59 7.631 -6.319 -13.935 1.00 3.31 H new ATOM 0 HZ1 LYS A 59 10.028 -6.507 -13.780 1.00 15.25 H new ATOM 0 HZ2 LYS A 59 9.613 -5.166 -14.736 1.00 15.25 H new ATOM 0 HZ3 LYS A 59 10.148 -4.938 -13.141 1.00 15.25 H new ATOM 956 N LEU A 60 2.507 -5.364 -14.644 1.00 33.31 N ATOM 957 CA LEU A 60 1.200 -5.985 -14.830 1.00 72.20 C ATOM 958 C LEU A 60 1.320 -7.278 -15.631 1.00 21.05 C ATOM 959 O LEU A 60 1.804 -7.276 -16.762 1.00 60.34 O ATOM 960 CB LEU A 60 0.251 -5.019 -15.540 1.00 55.44 C ATOM 961 CG LEU A 60 0.484 -4.828 -17.039 1.00 65.35 C ATOM 962 CD1 LEU A 60 -0.395 -5.775 -17.841 1.00 61.14 C ATOM 963 CD2 LEU A 60 0.222 -3.384 -17.441 1.00 73.32 C ATOM 0 H LEU A 60 2.535 -4.368 -14.861 1.00 33.31 H new ATOM 0 HA LEU A 60 0.796 -6.225 -13.846 1.00 72.20 H new ATOM 0 HB2 LEU A 60 -0.770 -5.371 -15.394 1.00 55.44 H new ATOM 0 HB3 LEU A 60 0.325 -4.046 -15.054 1.00 55.44 H new ATOM 0 HG LEU A 60 1.526 -5.061 -17.257 1.00 65.35 H new ATOM 0 HD11 LEU A 60 -0.215 -5.625 -18.906 1.00 61.14 H new ATOM 0 HD12 LEU A 60 -0.158 -6.805 -17.575 1.00 61.14 H new ATOM 0 HD13 LEU A 60 -1.443 -5.575 -17.618 1.00 61.14 H new ATOM 0 HD21 LEU A 60 0.393 -3.267 -18.511 1.00 73.32 H new ATOM 0 HD22 LEU A 60 -0.810 -3.123 -17.208 1.00 73.32 H new ATOM 0 HD23 LEU A 60 0.895 -2.726 -16.892 1.00 73.32 H new ATOM 975 N SER A 61 0.875 -8.380 -15.036 1.00 33.04 N ATOM 976 CA SER A 61 0.934 -9.681 -15.692 1.00 51.45 C ATOM 977 C SER A 61 -0.463 -10.159 -16.077 1.00 21.24 C ATOM 978 O SER A 61 -1.445 -9.842 -15.407 1.00 1.44 O ATOM 979 CB SER A 61 1.604 -10.708 -14.778 1.00 13.44 C ATOM 980 OG SER A 61 3.015 -10.590 -14.826 1.00 60.44 O ATOM 0 H SER A 61 0.469 -8.398 -14.100 1.00 33.04 H new ATOM 0 HA SER A 61 1.526 -9.575 -16.601 1.00 51.45 H new ATOM 0 HB2 SER A 61 1.259 -10.568 -13.754 1.00 13.44 H new ATOM 0 HB3 SER A 61 1.310 -11.714 -15.078 1.00 13.44 H new ATOM 0 HG SER A 61 3.419 -11.256 -14.232 1.00 60.44 H new ATOM 986 N GLU A 62 -0.542 -10.925 -17.160 1.00 70.22 N ATOM 987 CA GLU A 62 -1.818 -11.447 -17.634 1.00 74.14 C ATOM 988 C GLU A 62 -2.342 -12.535 -16.701 1.00 63.11 C ATOM 989 O GLU A 62 -3.539 -12.606 -16.421 1.00 72.05 O ATOM 990 CB GLU A 62 -1.672 -12.003 -19.052 1.00 72.14 C ATOM 991 CG GLU A 62 -1.647 -10.930 -20.127 1.00 41.35 C ATOM 992 CD GLU A 62 -1.172 -11.457 -21.467 1.00 62.04 C ATOM 993 OE1 GLU A 62 -0.709 -12.616 -21.518 1.00 2.13 O ATOM 994 OE2 GLU A 62 -1.262 -10.712 -22.465 1.00 55.30 O ATOM 0 H GLU A 62 0.262 -11.198 -17.725 1.00 70.22 H new ATOM 0 HA GLU A 62 -2.535 -10.626 -17.645 1.00 74.14 H new ATOM 0 HB2 GLU A 62 -0.753 -12.586 -19.112 1.00 72.14 H new ATOM 0 HB3 GLU A 62 -2.497 -12.687 -19.252 1.00 72.14 H new ATOM 0 HG2 GLU A 62 -2.647 -10.511 -20.240 1.00 41.35 H new ATOM 0 HG3 GLU A 62 -0.994 -10.117 -19.809 1.00 41.35 H new ATOM 1001 N LEU A 63 -1.436 -13.382 -16.223 1.00 14.52 N ATOM 1002 CA LEU A 63 -1.805 -14.467 -15.321 1.00 74.31 C ATOM 1003 C LEU A 63 -1.936 -13.964 -13.887 1.00 51.32 C ATOM 1004 O LEU A 63 -1.948 -12.757 -13.640 1.00 64.34 O ATOM 1005 CB LEU A 63 -0.766 -15.587 -15.388 1.00 24.35 C ATOM 1006 CG LEU A 63 -0.274 -15.965 -16.785 1.00 73.04 C ATOM 1007 CD1 LEU A 63 1.029 -15.250 -17.104 1.00 42.44 C ATOM 1008 CD2 LEU A 63 -0.100 -17.472 -16.900 1.00 65.31 C ATOM 0 H LEU A 63 -0.441 -13.338 -16.445 1.00 14.52 H new ATOM 0 HA LEU A 63 -2.772 -14.857 -15.638 1.00 74.31 H new ATOM 0 HB2 LEU A 63 0.096 -15.292 -14.789 1.00 24.35 H new ATOM 0 HB3 LEU A 63 -1.189 -16.476 -14.921 1.00 24.35 H new ATOM 0 HG LEU A 63 -1.024 -15.650 -17.511 1.00 73.04 H new ATOM 0 HD11 LEU A 63 1.364 -15.532 -18.102 1.00 42.44 H new ATOM 0 HD12 LEU A 63 0.872 -14.172 -17.065 1.00 42.44 H new ATOM 0 HD13 LEU A 63 1.787 -15.533 -16.374 1.00 42.44 H new ATOM 0 HD21 LEU A 63 0.251 -17.722 -17.901 1.00 65.31 H new ATOM 0 HD22 LEU A 63 0.629 -17.811 -16.165 1.00 65.31 H new ATOM 0 HD23 LEU A 63 -1.055 -17.964 -16.717 1.00 65.31 H new ATOM 1020 N HIS A 64 -2.032 -14.896 -12.944 1.00 53.14 N ATOM 1021 CA HIS A 64 -2.159 -14.546 -11.534 1.00 32.50 C ATOM 1022 C HIS A 64 -3.471 -13.813 -11.272 1.00 32.32 C ATOM 1023 O HIS A 64 -3.504 -12.597 -11.085 1.00 11.12 O ATOM 1024 CB HIS A 64 -0.980 -13.679 -11.094 1.00 2.23 C ATOM 1025 CG HIS A 64 0.350 -14.208 -11.533 1.00 64.33 C ATOM 1026 ND1 HIS A 64 1.086 -13.642 -12.553 1.00 23.12 N ATOM 1027 CD2 HIS A 64 1.078 -15.258 -11.084 1.00 52.14 C ATOM 1028 CE1 HIS A 64 2.208 -14.322 -12.713 1.00 52.51 C ATOM 1029 NE2 HIS A 64 2.227 -15.307 -11.834 1.00 4.11 N ATOM 0 H HIS A 64 -2.024 -15.899 -13.131 1.00 53.14 H new ATOM 0 HA HIS A 64 -2.157 -15.469 -10.954 1.00 32.50 H new ATOM 0 HB2 HIS A 64 -1.111 -12.673 -11.493 1.00 2.23 H new ATOM 0 HB3 HIS A 64 -0.987 -13.595 -10.007 1.00 2.23 H new ATOM 0 HD2 HIS A 64 0.805 -15.931 -10.285 1.00 52.14 H new ATOM 0 HE1 HIS A 64 2.978 -14.108 -13.439 1.00 52.51 H new ATOM 0 HE2 HIS A 64 2.974 -15.993 -11.729 1.00 4.11 H new ATOM 1037 N PRO A 65 -4.579 -14.569 -11.258 1.00 55.22 N ATOM 1038 CA PRO A 65 -5.914 -14.012 -11.020 1.00 54.32 C ATOM 1039 C PRO A 65 -6.099 -13.542 -9.581 1.00 65.31 C ATOM 1040 O PRO A 65 -6.669 -12.481 -9.334 1.00 14.32 O ATOM 1041 CB PRO A 65 -6.848 -15.186 -11.323 1.00 70.32 C ATOM 1042 CG PRO A 65 -6.018 -16.401 -11.086 1.00 53.43 C ATOM 1043 CD PRO A 65 -4.615 -16.025 -11.473 1.00 64.14 C ATOM 0 HA PRO A 65 -6.102 -13.131 -11.633 1.00 54.32 H new ATOM 0 HB2 PRO A 65 -7.724 -15.172 -10.675 1.00 70.32 H new ATOM 0 HB3 PRO A 65 -7.211 -15.148 -12.350 1.00 70.32 H new ATOM 0 HG2 PRO A 65 -6.066 -16.709 -10.041 1.00 53.43 H new ATOM 0 HG3 PRO A 65 -6.376 -17.241 -11.682 1.00 53.43 H new ATOM 0 HD2 PRO A 65 -3.877 -16.540 -10.858 1.00 64.14 H new ATOM 0 HD3 PRO A 65 -4.402 -16.283 -12.510 1.00 64.14 H new ATOM 1051 N GLU A 66 -5.611 -14.340 -8.636 1.00 70.22 N ATOM 1052 CA GLU A 66 -5.723 -14.005 -7.222 1.00 11.25 C ATOM 1053 C GLU A 66 -5.079 -12.653 -6.930 1.00 42.52 C ATOM 1054 O GLU A 66 -5.471 -11.956 -5.995 1.00 52.30 O ATOM 1055 CB GLU A 66 -5.068 -15.090 -6.364 1.00 0.51 C ATOM 1056 CG GLU A 66 -6.046 -15.829 -5.466 1.00 3.41 C ATOM 1057 CD GLU A 66 -6.569 -14.963 -4.336 1.00 23.21 C ATOM 1058 OE1 GLU A 66 -5.826 -14.066 -3.884 1.00 31.42 O ATOM 1059 OE2 GLU A 66 -7.719 -15.182 -3.904 1.00 34.34 O ATOM 0 H GLU A 66 -5.135 -15.222 -8.824 1.00 70.22 H new ATOM 0 HA GLU A 66 -6.782 -13.945 -6.973 1.00 11.25 H new ATOM 0 HB2 GLU A 66 -4.573 -15.809 -7.017 1.00 0.51 H new ATOM 0 HB3 GLU A 66 -4.294 -14.635 -5.747 1.00 0.51 H new ATOM 0 HG2 GLU A 66 -6.885 -16.185 -6.064 1.00 3.41 H new ATOM 0 HG3 GLU A 66 -5.556 -16.709 -5.048 1.00 3.41 H new ATOM 1066 N GLU A 67 -4.087 -12.290 -7.738 1.00 54.41 N ATOM 1067 CA GLU A 67 -3.388 -11.022 -7.566 1.00 42.20 C ATOM 1068 C GLU A 67 -4.267 -9.852 -7.998 1.00 74.01 C ATOM 1069 O GLU A 67 -4.304 -8.813 -7.339 1.00 41.32 O ATOM 1070 CB GLU A 67 -2.086 -11.019 -8.370 1.00 23.24 C ATOM 1071 CG GLU A 67 -0.985 -11.862 -7.747 1.00 42.55 C ATOM 1072 CD GLU A 67 -0.193 -11.104 -6.699 1.00 61.51 C ATOM 1073 OE1 GLU A 67 0.515 -10.145 -7.070 1.00 5.10 O ATOM 1074 OE2 GLU A 67 -0.281 -11.471 -5.509 1.00 21.12 O ATOM 0 H GLU A 67 -3.750 -12.856 -8.517 1.00 54.41 H new ATOM 0 HA GLU A 67 -3.154 -10.907 -6.508 1.00 42.20 H new ATOM 0 HB2 GLU A 67 -2.289 -11.387 -9.376 1.00 23.24 H new ATOM 0 HB3 GLU A 67 -1.733 -9.993 -8.471 1.00 23.24 H new ATOM 0 HG2 GLU A 67 -1.425 -12.750 -7.293 1.00 42.55 H new ATOM 0 HG3 GLU A 67 -0.309 -12.206 -8.530 1.00 42.55 H new ATOM 1081 N ARG A 68 -4.974 -10.030 -9.110 1.00 1.44 N ATOM 1082 CA ARG A 68 -5.852 -8.989 -9.631 1.00 61.12 C ATOM 1083 C ARG A 68 -6.849 -8.536 -8.569 1.00 4.44 C ATOM 1084 O ARG A 68 -6.958 -7.346 -8.272 1.00 10.33 O ATOM 1085 CB ARG A 68 -6.601 -9.495 -10.865 1.00 62.53 C ATOM 1086 CG ARG A 68 -5.703 -10.175 -11.886 1.00 51.24 C ATOM 1087 CD ARG A 68 -6.144 -9.866 -13.309 1.00 20.13 C ATOM 1088 NE ARG A 68 -7.594 -9.947 -13.462 1.00 12.42 N ATOM 1089 CZ ARG A 68 -8.249 -9.476 -14.517 1.00 41.14 C ATOM 1090 NH1 ARG A 68 -7.586 -8.895 -15.508 1.00 11.22 N ATOM 1091 NH2 ARG A 68 -9.570 -9.587 -14.584 1.00 45.30 N ATOM 0 H ARG A 68 -4.956 -10.885 -9.667 1.00 1.44 H new ATOM 0 HA ARG A 68 -5.235 -8.136 -9.913 1.00 61.12 H new ATOM 0 HB2 ARG A 68 -7.373 -10.196 -10.549 1.00 62.53 H new ATOM 0 HB3 ARG A 68 -7.108 -8.656 -11.341 1.00 62.53 H new ATOM 0 HG2 ARG A 68 -4.674 -9.846 -11.743 1.00 51.24 H new ATOM 0 HG3 ARG A 68 -5.718 -11.253 -11.725 1.00 51.24 H new ATOM 0 HD2 ARG A 68 -5.806 -8.867 -13.585 1.00 20.13 H new ATOM 0 HD3 ARG A 68 -5.667 -10.565 -13.996 1.00 20.13 H new ATOM 0 HE ARG A 68 -8.133 -10.390 -12.718 1.00 12.42 H new ATOM 0 HH11 ARG A 68 -6.571 -8.809 -15.461 1.00 11.22 H new ATOM 0 HH12 ARG A 68 -8.091 -8.534 -16.317 1.00 11.22 H new ATOM 0 HH21 ARG A 68 -10.083 -10.034 -13.825 1.00 45.30 H new ATOM 0 HH22 ARG A 68 -10.072 -9.225 -15.395 1.00 45.30 H new ATOM 1105 N LYS A 69 -7.574 -9.492 -7.999 1.00 53.21 N ATOM 1106 CA LYS A 69 -8.562 -9.193 -6.969 1.00 41.40 C ATOM 1107 C LYS A 69 -7.893 -8.616 -5.725 1.00 72.31 C ATOM 1108 O LYS A 69 -8.461 -7.766 -5.040 1.00 13.15 O ATOM 1109 CB LYS A 69 -9.344 -10.455 -6.602 1.00 35.45 C ATOM 1110 CG LYS A 69 -8.463 -11.611 -6.161 1.00 5.34 C ATOM 1111 CD LYS A 69 -9.197 -12.938 -6.249 1.00 63.14 C ATOM 1112 CE LYS A 69 -9.417 -13.358 -7.695 1.00 11.43 C ATOM 1113 NZ LYS A 69 -9.256 -14.827 -7.877 1.00 2.24 N ATOM 0 H LYS A 69 -7.496 -10.482 -8.233 1.00 53.21 H new ATOM 0 HA LYS A 69 -9.252 -8.449 -7.367 1.00 41.40 H new ATOM 0 HB2 LYS A 69 -10.045 -10.218 -5.802 1.00 35.45 H new ATOM 0 HB3 LYS A 69 -9.936 -10.768 -7.462 1.00 35.45 H new ATOM 0 HG2 LYS A 69 -7.569 -11.647 -6.784 1.00 5.34 H new ATOM 0 HG3 LYS A 69 -8.130 -11.446 -5.136 1.00 5.34 H new ATOM 0 HD2 LYS A 69 -8.625 -13.706 -5.729 1.00 63.14 H new ATOM 0 HD3 LYS A 69 -10.159 -12.858 -5.742 1.00 63.14 H new ATOM 0 HE2 LYS A 69 -10.417 -13.060 -8.011 1.00 11.43 H new ATOM 0 HE3 LYS A 69 -8.710 -12.833 -8.337 1.00 11.43 H new ATOM 0 HZ1 LYS A 69 -9.878 -15.152 -8.645 1.00 2.24 H new ATOM 0 HZ2 LYS A 69 -8.267 -15.041 -8.118 1.00 2.24 H new ATOM 0 HZ3 LYS A 69 -9.511 -15.316 -6.995 1.00 2.24 H new ATOM 1127 N LYS A 70 -6.682 -9.083 -5.440 1.00 34.22 N ATOM 1128 CA LYS A 70 -5.934 -8.613 -4.280 1.00 51.22 C ATOM 1129 C LYS A 70 -5.659 -7.116 -4.381 1.00 43.11 C ATOM 1130 O LYS A 70 -5.970 -6.354 -3.465 1.00 70.15 O ATOM 1131 CB LYS A 70 -4.614 -9.378 -4.154 1.00 55.54 C ATOM 1132 CG LYS A 70 -3.874 -9.103 -2.857 1.00 21.50 C ATOM 1133 CD LYS A 70 -2.959 -10.257 -2.483 1.00 24.21 C ATOM 1134 CE LYS A 70 -3.747 -11.447 -1.958 1.00 74.01 C ATOM 1135 NZ LYS A 70 -3.032 -12.732 -2.189 1.00 60.43 N ATOM 0 H LYS A 70 -6.198 -9.787 -5.997 1.00 34.22 H new ATOM 0 HA LYS A 70 -6.538 -8.795 -3.391 1.00 51.22 H new ATOM 0 HB2 LYS A 70 -4.814 -10.447 -4.229 1.00 55.54 H new ATOM 0 HB3 LYS A 70 -3.970 -9.115 -4.993 1.00 55.54 H new ATOM 0 HG2 LYS A 70 -3.287 -8.190 -2.958 1.00 21.50 H new ATOM 0 HG3 LYS A 70 -4.593 -8.933 -2.056 1.00 21.50 H new ATOM 0 HD2 LYS A 70 -2.379 -10.560 -3.355 1.00 24.21 H new ATOM 0 HD3 LYS A 70 -2.248 -9.928 -1.725 1.00 24.21 H new ATOM 0 HE2 LYS A 70 -3.929 -11.320 -0.891 1.00 74.01 H new ATOM 0 HE3 LYS A 70 -4.721 -11.481 -2.446 1.00 74.01 H new ATOM 0 HZ1 LYS A 70 -3.602 -13.518 -1.817 1.00 60.43 H new ATOM 0 HZ2 LYS A 70 -2.881 -12.867 -3.209 1.00 60.43 H new ATOM 0 HZ3 LYS A 70 -2.113 -12.710 -1.703 1.00 60.43 H new ATOM 1149 N VAL A 71 -5.074 -6.700 -5.500 1.00 73.34 N ATOM 1150 CA VAL A 71 -4.760 -5.294 -5.722 1.00 24.01 C ATOM 1151 C VAL A 71 -6.029 -4.460 -5.846 1.00 55.33 C ATOM 1152 O VAL A 71 -6.062 -3.296 -5.445 1.00 63.22 O ATOM 1153 CB VAL A 71 -3.907 -5.103 -6.990 1.00 44.20 C ATOM 1154 CG1 VAL A 71 -2.549 -5.769 -6.826 1.00 71.21 C ATOM 1155 CG2 VAL A 71 -4.634 -5.650 -8.209 1.00 15.43 C ATOM 0 H VAL A 71 -4.808 -7.317 -6.267 1.00 73.34 H new ATOM 0 HA VAL A 71 -4.191 -4.957 -4.856 1.00 24.01 H new ATOM 0 HB VAL A 71 -3.746 -4.036 -7.140 1.00 44.20 H new ATOM 0 HG11 VAL A 71 -1.961 -5.623 -7.732 1.00 71.21 H new ATOM 0 HG12 VAL A 71 -2.026 -5.326 -5.979 1.00 71.21 H new ATOM 0 HG13 VAL A 71 -2.686 -6.836 -6.650 1.00 71.21 H new ATOM 0 HG21 VAL A 71 -4.017 -5.506 -9.096 1.00 15.43 H new ATOM 0 HG22 VAL A 71 -4.828 -6.714 -8.070 1.00 15.43 H new ATOM 0 HG23 VAL A 71 -5.579 -5.122 -8.336 1.00 15.43 H new ATOM 1165 N ARG A 72 -7.074 -5.062 -6.404 1.00 75.23 N ATOM 1166 CA ARG A 72 -8.348 -4.374 -6.582 1.00 64.43 C ATOM 1167 C ARG A 72 -8.930 -3.951 -5.237 1.00 22.53 C ATOM 1168 O ARG A 72 -9.329 -2.801 -5.057 1.00 23.52 O ATOM 1169 CB ARG A 72 -9.340 -5.276 -7.319 1.00 20.02 C ATOM 1170 CG ARG A 72 -9.089 -5.364 -8.815 1.00 43.42 C ATOM 1171 CD ARG A 72 -9.623 -4.139 -9.542 1.00 63.43 C ATOM 1172 NE ARG A 72 -10.271 -4.491 -10.803 1.00 1.11 N ATOM 1173 CZ ARG A 72 -11.434 -5.127 -10.879 1.00 34.35 C ATOM 1174 NH1 ARG A 72 -12.074 -5.480 -9.772 1.00 53.40 N ATOM 1175 NH2 ARG A 72 -11.960 -5.412 -12.063 1.00 35.10 N ATOM 0 H ARG A 72 -7.064 -6.025 -6.741 1.00 75.23 H new ATOM 0 HA ARG A 72 -8.169 -3.479 -7.178 1.00 64.43 H new ATOM 0 HB2 ARG A 72 -9.293 -6.278 -6.892 1.00 20.02 H new ATOM 0 HB3 ARG A 72 -10.351 -4.904 -7.150 1.00 20.02 H new ATOM 0 HG2 ARG A 72 -8.019 -5.461 -9.001 1.00 43.42 H new ATOM 0 HG3 ARG A 72 -9.564 -6.261 -9.213 1.00 43.42 H new ATOM 0 HD2 ARG A 72 -10.335 -3.619 -8.901 1.00 63.43 H new ATOM 0 HD3 ARG A 72 -8.804 -3.447 -9.736 1.00 63.43 H new ATOM 0 HE ARG A 72 -9.804 -4.234 -11.673 1.00 1.11 H new ATOM 0 HH11 ARG A 72 -11.673 -5.263 -8.860 1.00 53.40 H new ATOM 0 HH12 ARG A 72 -12.967 -5.968 -9.833 1.00 53.40 H new ATOM 0 HH21 ARG A 72 -11.471 -5.143 -12.917 1.00 35.10 H new ATOM 0 HH22 ARG A 72 -12.854 -5.901 -12.120 1.00 35.10 H new ATOM 1189 N GLU A 73 -8.975 -4.890 -4.296 1.00 53.21 N ATOM 1190 CA GLU A 73 -9.510 -4.614 -2.968 1.00 11.31 C ATOM 1191 C GLU A 73 -8.559 -3.724 -2.173 1.00 31.05 C ATOM 1192 O GLU A 73 -8.991 -2.881 -1.386 1.00 43.43 O ATOM 1193 CB GLU A 73 -9.756 -5.921 -2.211 1.00 54.42 C ATOM 1194 CG GLU A 73 -8.492 -6.724 -1.957 1.00 31.03 C ATOM 1195 CD GLU A 73 -8.747 -7.965 -1.123 1.00 12.42 C ATOM 1196 OE1 GLU A 73 -9.095 -9.012 -1.707 1.00 43.12 O ATOM 1197 OE2 GLU A 73 -8.599 -7.888 0.115 1.00 42.51 O ATOM 0 H GLU A 73 -8.648 -5.847 -4.429 1.00 53.21 H new ATOM 0 HA GLU A 73 -10.457 -4.088 -3.088 1.00 11.31 H new ATOM 0 HB2 GLU A 73 -10.230 -5.694 -1.256 1.00 54.42 H new ATOM 0 HB3 GLU A 73 -10.457 -6.533 -2.778 1.00 54.42 H new ATOM 0 HG2 GLU A 73 -8.054 -7.016 -2.911 1.00 31.03 H new ATOM 0 HG3 GLU A 73 -7.761 -6.094 -1.450 1.00 31.03 H new ATOM 1204 N LYS A 74 -7.262 -3.919 -2.382 1.00 64.02 N ATOM 1205 CA LYS A 74 -6.247 -3.136 -1.687 1.00 14.52 C ATOM 1206 C LYS A 74 -6.386 -1.652 -2.015 1.00 61.41 C ATOM 1207 O LYS A 74 -6.473 -0.813 -1.118 1.00 63.33 O ATOM 1208 CB LYS A 74 -4.848 -3.624 -2.066 1.00 25.14 C ATOM 1209 CG LYS A 74 -3.852 -3.567 -0.920 1.00 14.45 C ATOM 1210 CD LYS A 74 -3.758 -2.168 -0.333 1.00 31.24 C ATOM 1211 CE LYS A 74 -3.217 -1.173 -1.347 1.00 63.15 C ATOM 1212 NZ LYS A 74 -2.462 -0.069 -0.693 1.00 41.42 N ATOM 0 H LYS A 74 -6.888 -4.614 -3.028 1.00 64.02 H new ATOM 0 HA LYS A 74 -6.393 -3.269 -0.615 1.00 14.52 H new ATOM 0 HB2 LYS A 74 -4.916 -4.650 -2.427 1.00 25.14 H new ATOM 0 HB3 LYS A 74 -4.473 -3.020 -2.892 1.00 25.14 H new ATOM 0 HG2 LYS A 74 -4.150 -4.270 -0.142 1.00 14.45 H new ATOM 0 HG3 LYS A 74 -2.870 -3.881 -1.274 1.00 14.45 H new ATOM 0 HD2 LYS A 74 -4.744 -1.847 0.003 1.00 31.24 H new ATOM 0 HD3 LYS A 74 -3.111 -2.183 0.544 1.00 31.24 H new ATOM 0 HE2 LYS A 74 -2.566 -1.690 -2.052 1.00 63.15 H new ATOM 0 HE3 LYS A 74 -4.043 -0.756 -1.923 1.00 63.15 H new ATOM 0 HZ1 LYS A 74 -2.518 0.786 -1.282 1.00 41.42 H new ATOM 0 HZ2 LYS A 74 -2.873 0.126 0.242 1.00 41.42 H new ATOM 0 HZ3 LYS A 74 -1.466 -0.348 -0.582 1.00 41.42 H new ATOM 1226 N PHE A 75 -6.407 -1.336 -3.306 1.00 32.24 N ATOM 1227 CA PHE A 75 -6.536 0.046 -3.752 1.00 41.10 C ATOM 1228 C PHE A 75 -7.939 0.578 -3.476 1.00 51.43 C ATOM 1229 O PHE A 75 -8.118 1.756 -3.164 1.00 22.32 O ATOM 1230 CB PHE A 75 -6.222 0.153 -5.246 1.00 0.33 C ATOM 1231 CG PHE A 75 -7.438 0.375 -6.099 1.00 43.33 C ATOM 1232 CD1 PHE A 75 -7.882 1.658 -6.375 1.00 12.43 C ATOM 1233 CD2 PHE A 75 -8.136 -0.699 -6.627 1.00 23.11 C ATOM 1234 CE1 PHE A 75 -9.001 1.865 -7.159 1.00 51.32 C ATOM 1235 CE2 PHE A 75 -9.255 -0.498 -7.412 1.00 71.35 C ATOM 1236 CZ PHE A 75 -9.688 0.786 -7.680 1.00 24.32 C ATOM 0 H PHE A 75 -6.336 -2.018 -4.061 1.00 32.24 H new ATOM 0 HA PHE A 75 -5.821 0.650 -3.193 1.00 41.10 H new ATOM 0 HB2 PHE A 75 -5.522 0.974 -5.404 1.00 0.33 H new ATOM 0 HB3 PHE A 75 -5.722 -0.760 -5.570 1.00 0.33 H new ATOM 0 HD1 PHE A 75 -7.348 2.506 -5.973 1.00 12.43 H new ATOM 0 HD2 PHE A 75 -7.801 -1.705 -6.423 1.00 23.11 H new ATOM 0 HE1 PHE A 75 -9.338 2.870 -7.364 1.00 51.32 H new ATOM 0 HE2 PHE A 75 -9.791 -1.344 -7.816 1.00 71.35 H new ATOM 0 HZ PHE A 75 -10.561 0.946 -8.295 1.00 24.32 H new ATOM 1246 N ASP A 76 -8.931 -0.297 -3.595 1.00 31.22 N ATOM 1247 CA ASP A 76 -10.319 0.083 -3.358 1.00 41.21 C ATOM 1248 C ASP A 76 -10.506 0.598 -1.934 1.00 71.43 C ATOM 1249 O ASP A 76 -11.088 1.661 -1.720 1.00 61.53 O ATOM 1250 CB ASP A 76 -11.246 -1.107 -3.610 1.00 12.12 C ATOM 1251 CG ASP A 76 -12.635 -0.889 -3.043 1.00 11.43 C ATOM 1252 OD1 ASP A 76 -13.155 0.240 -3.166 1.00 73.32 O ATOM 1253 OD2 ASP A 76 -13.202 -1.846 -2.475 1.00 4.15 O ATOM 0 H ASP A 76 -8.800 -1.275 -3.854 1.00 31.22 H new ATOM 0 HA ASP A 76 -10.574 0.885 -4.051 1.00 41.21 H new ATOM 0 HB2 ASP A 76 -11.319 -1.286 -4.683 1.00 12.12 H new ATOM 0 HB3 ASP A 76 -10.812 -2.003 -3.166 1.00 12.12 H new ATOM 1258 N GLU A 77 -10.010 -0.165 -0.965 1.00 1.22 N ATOM 1259 CA GLU A 77 -10.125 0.214 0.439 1.00 42.04 C ATOM 1260 C GLU A 77 -9.244 1.421 0.750 1.00 30.43 C ATOM 1261 O GLU A 77 -9.692 2.386 1.367 1.00 41.44 O ATOM 1262 CB GLU A 77 -9.738 -0.960 1.340 1.00 30.21 C ATOM 1263 CG GLU A 77 -10.714 -2.123 1.277 1.00 22.21 C ATOM 1264 CD GLU A 77 -11.914 -1.927 2.183 1.00 72.33 C ATOM 1265 OE1 GLU A 77 -11.746 -2.016 3.417 1.00 30.51 O ATOM 1266 OE2 GLU A 77 -13.021 -1.685 1.658 1.00 60.33 O ATOM 0 H GLU A 77 -9.525 -1.048 -1.126 1.00 1.22 H new ATOM 0 HA GLU A 77 -11.163 0.484 0.633 1.00 42.04 H new ATOM 0 HB2 GLU A 77 -8.746 -1.313 1.057 1.00 30.21 H new ATOM 0 HB3 GLU A 77 -9.669 -0.610 2.370 1.00 30.21 H new ATOM 0 HG2 GLU A 77 -11.056 -2.250 0.250 1.00 22.21 H new ATOM 0 HG3 GLU A 77 -10.198 -3.041 1.557 1.00 22.21 H new ATOM 1273 N ASN A 78 -7.988 1.356 0.320 1.00 72.11 N ATOM 1274 CA ASN A 78 -7.043 2.442 0.554 1.00 53.03 C ATOM 1275 C ASN A 78 -7.623 3.776 0.092 1.00 24.22 C ATOM 1276 O ASN A 78 -7.429 4.805 0.738 1.00 3.44 O ATOM 1277 CB ASN A 78 -5.726 2.166 -0.175 1.00 34.23 C ATOM 1278 CG ASN A 78 -4.671 3.214 0.121 1.00 55.55 C ATOM 1279 OD1 ASN A 78 -4.243 3.947 -0.771 1.00 4.53 O ATOM 1280 ND2 ASN A 78 -4.248 3.290 1.377 1.00 41.12 N ATOM 0 H ASN A 78 -7.601 0.563 -0.192 1.00 72.11 H new ATOM 0 HA ASN A 78 -6.852 2.500 1.626 1.00 53.03 H new ATOM 0 HB2 ASN A 78 -5.351 1.185 0.116 1.00 34.23 H new ATOM 0 HB3 ASN A 78 -5.909 2.131 -1.249 1.00 34.23 H new ATOM 0 HD21 ASN A 78 -3.540 3.977 1.636 1.00 41.12 H new ATOM 0 HD22 ASN A 78 -4.631 2.662 2.083 1.00 41.12 H new ATOM 1287 N SER A 79 -8.335 3.749 -1.030 1.00 30.13 N ATOM 1288 CA SER A 79 -8.940 4.956 -1.580 1.00 13.00 C ATOM 1289 C SER A 79 -10.190 5.343 -0.795 1.00 53.15 C ATOM 1290 O SER A 79 -10.411 6.517 -0.497 1.00 44.14 O ATOM 1291 CB SER A 79 -9.293 4.749 -3.054 1.00 74.40 C ATOM 1292 OG SER A 79 -8.130 4.517 -3.829 1.00 70.13 O ATOM 0 H SER A 79 -8.507 2.905 -1.576 1.00 30.13 H new ATOM 0 HA SER A 79 -8.215 5.766 -1.498 1.00 13.00 H new ATOM 0 HB2 SER A 79 -9.974 3.904 -3.153 1.00 74.40 H new ATOM 0 HB3 SER A 79 -9.817 5.627 -3.432 1.00 74.40 H new ATOM 0 HG SER A 79 -7.883 3.570 -3.773 1.00 70.13 H new ATOM 1298 N ARG A 80 -11.005 4.347 -0.464 1.00 55.05 N ATOM 1299 CA ARG A 80 -12.234 4.582 0.284 1.00 13.11 C ATOM 1300 C ARG A 80 -11.927 4.929 1.738 1.00 52.11 C ATOM 1301 O ARG A 80 -12.817 5.315 2.495 1.00 32.54 O ATOM 1302 CB ARG A 80 -13.138 3.349 0.223 1.00 43.12 C ATOM 1303 CG ARG A 80 -12.908 2.369 1.361 1.00 32.43 C ATOM 1304 CD ARG A 80 -13.869 2.618 2.513 1.00 30.04 C ATOM 1305 NE ARG A 80 -14.338 1.372 3.115 1.00 42.35 N ATOM 1306 CZ ARG A 80 -14.925 1.306 4.304 1.00 32.21 C ATOM 1307 NH1 ARG A 80 -15.115 2.408 5.016 1.00 52.22 N ATOM 1308 NH2 ARG A 80 -15.324 0.135 4.784 1.00 74.23 N ATOM 0 H ARG A 80 -10.836 3.370 -0.702 1.00 55.05 H new ATOM 0 HA ARG A 80 -12.751 5.426 -0.172 1.00 13.11 H new ATOM 0 HB2 ARG A 80 -14.179 3.671 0.237 1.00 43.12 H new ATOM 0 HB3 ARG A 80 -12.976 2.836 -0.725 1.00 43.12 H new ATOM 0 HG2 ARG A 80 -13.033 1.350 0.996 1.00 32.43 H new ATOM 0 HG3 ARG A 80 -11.881 2.457 1.717 1.00 32.43 H new ATOM 0 HD2 ARG A 80 -13.375 3.224 3.273 1.00 30.04 H new ATOM 0 HD3 ARG A 80 -14.724 3.191 2.154 1.00 30.04 H new ATOM 0 HE ARG A 80 -14.207 0.505 2.593 1.00 42.35 H new ATOM 0 HH11 ARG A 80 -14.810 3.310 4.651 1.00 52.22 H new ATOM 0 HH12 ARG A 80 -15.566 2.354 5.929 1.00 52.22 H new ATOM 0 HH21 ARG A 80 -15.180 -0.715 4.239 1.00 74.23 H new ATOM 0 HH22 ARG A 80 -15.775 0.085 5.698 1.00 74.23 H new ATOM 1322 N MET A 81 -10.662 4.789 2.120 1.00 71.21 N ATOM 1323 CA MET A 81 -10.238 5.088 3.483 1.00 40.23 C ATOM 1324 C MET A 81 -10.884 6.376 3.983 1.00 54.24 C ATOM 1325 O MET A 81 -11.246 7.247 3.191 1.00 23.34 O ATOM 1326 CB MET A 81 -8.714 5.209 3.551 1.00 73.34 C ATOM 1327 CG MET A 81 -8.009 3.881 3.772 1.00 21.41 C ATOM 1328 SD MET A 81 -8.322 3.193 5.409 1.00 23.42 S ATOM 1329 CE MET A 81 -9.400 1.822 5.000 1.00 15.51 C ATOM 0 H MET A 81 -9.913 4.471 1.505 1.00 71.21 H new ATOM 0 HA MET A 81 -10.559 4.268 4.125 1.00 40.23 H new ATOM 0 HB2 MET A 81 -8.351 5.654 2.624 1.00 73.34 H new ATOM 0 HB3 MET A 81 -8.447 5.891 4.358 1.00 73.34 H new ATOM 0 HG2 MET A 81 -8.337 3.169 3.014 1.00 21.41 H new ATOM 0 HG3 MET A 81 -6.936 4.017 3.638 1.00 21.41 H new ATOM 0 HE1 MET A 81 -10.094 1.647 5.822 1.00 15.51 H new ATOM 0 HE2 MET A 81 -9.961 2.057 4.095 1.00 15.51 H new ATOM 0 HE3 MET A 81 -8.802 0.926 4.833 1.00 15.51 H new ATOM 1339 N GLN A 82 -11.027 6.489 5.299 1.00 4.33 N ATOM 1340 CA GLN A 82 -11.631 7.671 5.903 1.00 3.11 C ATOM 1341 C GLN A 82 -10.971 8.945 5.385 1.00 24.22 C ATOM 1342 O GLN A 82 -9.806 8.934 4.985 1.00 73.22 O ATOM 1343 CB GLN A 82 -11.516 7.606 7.427 1.00 2.40 C ATOM 1344 CG GLN A 82 -11.978 6.284 8.016 1.00 31.43 C ATOM 1345 CD GLN A 82 -10.823 5.406 8.458 1.00 54.11 C ATOM 1346 OE1 GLN A 82 -9.687 5.588 8.019 1.00 13.03 O ATOM 1347 NE2 GLN A 82 -11.108 4.447 9.331 1.00 15.10 N ATOM 0 H GLN A 82 -10.733 5.777 5.968 1.00 4.33 H new ATOM 0 HA GLN A 82 -12.685 7.691 5.626 1.00 3.11 H new ATOM 0 HB2 GLN A 82 -10.478 7.778 7.712 1.00 2.40 H new ATOM 0 HB3 GLN A 82 -12.105 8.414 7.862 1.00 2.40 H new ATOM 0 HG2 GLN A 82 -12.629 6.478 8.869 1.00 31.43 H new ATOM 0 HG3 GLN A 82 -12.573 5.749 7.276 1.00 31.43 H new ATOM 0 HE21 GLN A 82 -12.064 4.332 9.668 1.00 15.10 H new ATOM 0 HE22 GLN A 82 -10.371 3.825 9.664 1.00 15.10 H new ATOM 1356 N TYR A 83 -11.721 10.040 5.396 1.00 54.44 N ATOM 1357 CA TYR A 83 -11.210 11.322 4.924 1.00 30.12 C ATOM 1358 C TYR A 83 -10.000 11.760 5.743 1.00 25.10 C ATOM 1359 O TYR A 83 -9.036 12.305 5.205 1.00 62.54 O ATOM 1360 CB TYR A 83 -12.303 12.389 4.998 1.00 10.43 C ATOM 1361 CG TYR A 83 -11.941 13.677 4.293 1.00 23.02 C ATOM 1362 CD1 TYR A 83 -11.197 13.664 3.119 1.00 33.53 C ATOM 1363 CD2 TYR A 83 -12.341 14.907 4.801 1.00 23.31 C ATOM 1364 CE1 TYR A 83 -10.863 14.837 2.472 1.00 52.31 C ATOM 1365 CE2 TYR A 83 -12.013 16.085 4.160 1.00 45.33 C ATOM 1366 CZ TYR A 83 -11.274 16.046 2.996 1.00 65.53 C ATOM 1367 OH TYR A 83 -10.943 17.217 2.355 1.00 54.54 O ATOM 0 H TYR A 83 -12.686 10.067 5.727 1.00 54.44 H new ATOM 0 HA TYR A 83 -10.900 11.201 3.886 1.00 30.12 H new ATOM 0 HB2 TYR A 83 -13.218 11.990 4.561 1.00 10.43 H new ATOM 0 HB3 TYR A 83 -12.518 12.605 6.045 1.00 10.43 H new ATOM 0 HD1 TYR A 83 -10.875 12.720 2.706 1.00 33.53 H new ATOM 0 HD2 TYR A 83 -12.918 14.942 5.713 1.00 23.31 H new ATOM 0 HE1 TYR A 83 -10.283 14.809 1.561 1.00 52.31 H new ATOM 0 HE2 TYR A 83 -12.333 17.032 4.568 1.00 45.33 H new ATOM 0 HH TYR A 83 -11.310 17.977 2.853 1.00 54.54 H new ATOM 1377 N SER A 84 -10.057 11.517 7.049 1.00 71.14 N ATOM 1378 CA SER A 84 -8.968 11.888 7.944 1.00 2.40 C ATOM 1379 C SER A 84 -7.642 11.315 7.453 1.00 2.42 C ATOM 1380 O SER A 84 -6.652 12.035 7.328 1.00 43.15 O ATOM 1381 CB SER A 84 -9.255 11.395 9.363 1.00 34.03 C ATOM 1382 OG SER A 84 -10.627 11.544 9.687 1.00 40.10 O ATOM 0 H SER A 84 -10.846 11.065 7.510 1.00 71.14 H new ATOM 0 HA SER A 84 -8.893 12.975 7.953 1.00 2.40 H new ATOM 0 HB2 SER A 84 -8.969 10.347 9.452 1.00 34.03 H new ATOM 0 HB3 SER A 84 -8.647 11.953 10.075 1.00 34.03 H new ATOM 0 HG SER A 84 -11.111 10.726 9.446 1.00 40.10 H new ATOM 1388 N GLU A 85 -7.632 10.015 7.178 1.00 60.13 N ATOM 1389 CA GLU A 85 -6.428 9.345 6.701 1.00 24.35 C ATOM 1390 C GLU A 85 -6.127 9.729 5.256 1.00 44.23 C ATOM 1391 O GLU A 85 -4.966 9.818 4.854 1.00 63.44 O ATOM 1392 CB GLU A 85 -6.583 7.827 6.815 1.00 31.23 C ATOM 1393 CG GLU A 85 -5.266 7.073 6.739 1.00 72.43 C ATOM 1394 CD GLU A 85 -4.584 6.952 8.087 1.00 22.25 C ATOM 1395 OE1 GLU A 85 -3.882 7.905 8.485 1.00 22.33 O ATOM 1396 OE2 GLU A 85 -4.753 5.904 8.745 1.00 24.42 O ATOM 0 H GLU A 85 -8.443 9.405 7.277 1.00 60.13 H new ATOM 0 HA GLU A 85 -5.594 9.666 7.325 1.00 24.35 H new ATOM 0 HB2 GLU A 85 -7.073 7.590 7.759 1.00 31.23 H new ATOM 0 HB3 GLU A 85 -7.239 7.476 6.018 1.00 31.23 H new ATOM 0 HG2 GLU A 85 -5.445 6.076 6.336 1.00 72.43 H new ATOM 0 HG3 GLU A 85 -4.599 7.583 6.043 1.00 72.43 H new ATOM 1403 N LEU A 86 -7.180 9.956 4.479 1.00 61.03 N ATOM 1404 CA LEU A 86 -7.030 10.331 3.077 1.00 61.42 C ATOM 1405 C LEU A 86 -6.338 11.684 2.946 1.00 72.33 C ATOM 1406 O LEU A 86 -5.464 11.865 2.099 1.00 53.45 O ATOM 1407 CB LEU A 86 -8.397 10.375 2.391 1.00 3.34 C ATOM 1408 CG LEU A 86 -8.443 9.862 0.952 1.00 42.03 C ATOM 1409 CD1 LEU A 86 -7.532 10.692 0.060 1.00 74.22 C ATOM 1410 CD2 LEU A 86 -8.051 8.393 0.897 1.00 73.54 C ATOM 0 H LEU A 86 -8.147 9.887 4.796 1.00 61.03 H new ATOM 0 HA LEU A 86 -6.410 9.578 2.590 1.00 61.42 H new ATOM 0 HB2 LEU A 86 -9.099 9.791 2.986 1.00 3.34 H new ATOM 0 HB3 LEU A 86 -8.752 11.405 2.400 1.00 3.34 H new ATOM 0 HG LEU A 86 -9.465 9.959 0.584 1.00 42.03 H new ATOM 0 HD11 LEU A 86 -7.578 10.312 -0.961 1.00 74.22 H new ATOM 0 HD12 LEU A 86 -7.857 11.732 0.075 1.00 74.22 H new ATOM 0 HD13 LEU A 86 -6.507 10.627 0.426 1.00 74.22 H new ATOM 0 HD21 LEU A 86 -8.089 8.045 -0.135 1.00 73.54 H new ATOM 0 HD22 LEU A 86 -7.039 8.272 1.284 1.00 73.54 H new ATOM 0 HD23 LEU A 86 -8.743 7.809 1.503 1.00 73.54 H new ATOM 1422 N MET A 87 -6.734 12.629 3.791 1.00 11.35 N ATOM 1423 CA MET A 87 -6.149 13.965 3.772 1.00 13.10 C ATOM 1424 C MET A 87 -4.802 13.979 4.486 1.00 25.12 C ATOM 1425 O MET A 87 -3.948 14.822 4.209 1.00 53.54 O ATOM 1426 CB MET A 87 -7.098 14.970 4.429 1.00 61.14 C ATOM 1427 CG MET A 87 -7.820 15.864 3.433 1.00 4.14 C ATOM 1428 SD MET A 87 -6.695 16.940 2.523 1.00 64.51 S ATOM 1429 CE MET A 87 -6.976 16.381 0.845 1.00 71.23 C ATOM 0 H MET A 87 -7.457 12.495 4.498 1.00 11.35 H new ATOM 0 HA MET A 87 -5.992 14.251 2.732 1.00 13.10 H new ATOM 0 HB2 MET A 87 -7.836 14.428 5.020 1.00 61.14 H new ATOM 0 HB3 MET A 87 -6.532 15.594 5.121 1.00 61.14 H new ATOM 0 HG2 MET A 87 -8.373 15.243 2.728 1.00 4.14 H new ATOM 0 HG3 MET A 87 -8.552 16.474 3.962 1.00 4.14 H new ATOM 0 HE1 MET A 87 -6.252 16.850 0.179 1.00 71.23 H new ATOM 0 HE2 MET A 87 -6.863 15.298 0.799 1.00 71.23 H new ATOM 0 HE3 MET A 87 -7.984 16.655 0.534 1.00 71.23 H new ATOM 1439 N THR A 88 -4.615 13.039 5.408 1.00 15.32 N ATOM 1440 CA THR A 88 -3.372 12.945 6.163 1.00 34.30 C ATOM 1441 C THR A 88 -2.269 12.305 5.328 1.00 53.03 C ATOM 1442 O THR A 88 -1.153 12.819 5.257 1.00 64.32 O ATOM 1443 CB THR A 88 -3.561 12.128 7.456 1.00 42.34 C ATOM 1444 OG1 THR A 88 -4.422 12.831 8.358 1.00 40.40 O ATOM 1445 CG2 THR A 88 -2.222 11.862 8.128 1.00 52.44 C ATOM 0 H THR A 88 -5.309 12.332 5.649 1.00 15.32 H new ATOM 0 HA THR A 88 -3.082 13.963 6.424 1.00 34.30 H new ATOM 0 HB THR A 88 -4.014 11.172 7.193 1.00 42.34 H new ATOM 0 HG1 THR A 88 -5.336 12.486 8.274 1.00 40.40 H new ATOM 0 HG21 THR A 88 -2.380 11.284 9.038 1.00 52.44 H new ATOM 0 HG22 THR A 88 -1.579 11.301 7.449 1.00 52.44 H new ATOM 0 HG23 THR A 88 -1.746 12.810 8.378 1.00 52.44 H new ATOM 1453 N LYS A 89 -2.589 11.181 4.695 1.00 2.03 N ATOM 1454 CA LYS A 89 -1.626 10.471 3.862 1.00 4.01 C ATOM 1455 C LYS A 89 -1.218 11.317 2.660 1.00 75.22 C ATOM 1456 O LYS A 89 -0.278 10.979 1.941 1.00 72.55 O ATOM 1457 CB LYS A 89 -2.214 9.141 3.387 1.00 31.53 C ATOM 1458 CG LYS A 89 -1.287 7.956 3.598 1.00 71.14 C ATOM 1459 CD LYS A 89 -1.448 7.362 4.987 1.00 61.32 C ATOM 1460 CE LYS A 89 -0.536 8.045 5.994 1.00 25.41 C ATOM 1461 NZ LYS A 89 -0.637 7.424 7.344 1.00 3.00 N ATOM 0 H LYS A 89 -3.509 10.742 4.743 1.00 2.03 H new ATOM 0 HA LYS A 89 -0.739 10.274 4.464 1.00 4.01 H new ATOM 0 HB2 LYS A 89 -3.150 8.958 3.915 1.00 31.53 H new ATOM 0 HB3 LYS A 89 -2.456 9.218 2.327 1.00 31.53 H new ATOM 0 HG2 LYS A 89 -1.495 7.192 2.849 1.00 71.14 H new ATOM 0 HG3 LYS A 89 -0.254 8.271 3.454 1.00 71.14 H new ATOM 0 HD2 LYS A 89 -2.485 7.461 5.308 1.00 61.32 H new ATOM 0 HD3 LYS A 89 -1.224 6.296 4.956 1.00 61.32 H new ATOM 0 HE2 LYS A 89 0.495 7.990 5.645 1.00 25.41 H new ATOM 0 HE3 LYS A 89 -0.795 9.102 6.060 1.00 25.41 H new ATOM 0 HZ1 LYS A 89 -0.000 7.918 8.002 1.00 3.00 H new ATOM 0 HZ2 LYS A 89 -1.616 7.498 7.688 1.00 3.00 H new ATOM 0 HZ3 LYS A 89 -0.366 6.422 7.286 1.00 3.00 H new ATOM 1475 N TYR A 90 -1.931 12.418 2.449 1.00 63.14 N ATOM 1476 CA TYR A 90 -1.644 13.312 1.333 1.00 63.42 C ATOM 1477 C TYR A 90 -1.026 14.617 1.825 1.00 23.31 C ATOM 1478 O TYR A 90 -0.033 15.094 1.274 1.00 31.13 O ATOM 1479 CB TYR A 90 -2.922 13.605 0.545 1.00 22.32 C ATOM 1480 CG TYR A 90 -2.772 14.728 -0.456 1.00 62.42 C ATOM 1481 CD1 TYR A 90 -1.607 14.870 -1.200 1.00 42.12 C ATOM 1482 CD2 TYR A 90 -3.794 15.647 -0.658 1.00 31.42 C ATOM 1483 CE1 TYR A 90 -1.465 15.895 -2.116 1.00 22.22 C ATOM 1484 CE2 TYR A 90 -3.661 16.673 -1.572 1.00 54.52 C ATOM 1485 CZ TYR A 90 -2.495 16.794 -2.299 1.00 30.45 C ATOM 1486 OH TYR A 90 -2.358 17.816 -3.209 1.00 75.03 O ATOM 0 H TYR A 90 -2.712 12.713 3.036 1.00 63.14 H new ATOM 0 HA TYR A 90 -0.927 12.816 0.679 1.00 63.42 H new ATOM 0 HB2 TYR A 90 -3.231 12.701 0.020 1.00 22.32 H new ATOM 0 HB3 TYR A 90 -3.720 13.856 1.244 1.00 22.32 H new ATOM 0 HD1 TYR A 90 -0.799 14.167 -1.060 1.00 42.12 H new ATOM 0 HD2 TYR A 90 -4.708 15.557 -0.090 1.00 31.42 H new ATOM 0 HE1 TYR A 90 -0.552 15.992 -2.686 1.00 22.22 H new ATOM 0 HE2 TYR A 90 -4.466 17.378 -1.717 1.00 54.52 H new ATOM 0 HH TYR A 90 -3.174 18.359 -3.217 1.00 75.03 H new ATOM 1496 N HIS A 91 -1.620 15.189 2.867 1.00 11.22 N ATOM 1497 CA HIS A 91 -1.128 16.439 3.436 1.00 34.02 C ATOM 1498 C HIS A 91 0.067 16.187 4.350 1.00 33.55 C ATOM 1499 O HIS A 91 0.828 17.103 4.661 1.00 15.31 O ATOM 1500 CB HIS A 91 -2.241 17.142 4.214 1.00 1.32 C ATOM 1501 CG HIS A 91 -1.912 18.556 4.584 1.00 21.21 C ATOM 1502 ND1 HIS A 91 -1.240 18.894 5.739 1.00 5.44 N ATOM 1503 CD2 HIS A 91 -2.165 19.721 3.943 1.00 71.42 C ATOM 1504 CE1 HIS A 91 -1.095 20.206 5.794 1.00 40.44 C ATOM 1505 NE2 HIS A 91 -1.648 20.731 4.715 1.00 44.41 N ATOM 0 H HIS A 91 -2.442 14.807 3.335 1.00 11.22 H new ATOM 0 HA HIS A 91 -0.806 17.081 2.616 1.00 34.02 H new ATOM 0 HB2 HIS A 91 -3.152 17.134 3.616 1.00 1.32 H new ATOM 0 HB3 HIS A 91 -2.451 16.577 5.122 1.00 1.32 H new ATOM 0 HD2 HIS A 91 -2.678 19.835 3.000 1.00 71.42 H new ATOM 0 HE1 HIS A 91 -0.608 20.756 6.586 1.00 40.44 H new ATOM 0 HE2 HIS A 91 -1.685 21.726 4.492 1.00 44.41 H new ATOM 1513 N ASP A 92 0.225 14.939 4.778 1.00 32.14 N ATOM 1514 CA ASP A 92 1.327 14.566 5.657 1.00 64.21 C ATOM 1515 C ASP A 92 2.494 13.999 4.854 1.00 1.00 C ATOM 1516 O ASP A 92 3.641 14.415 5.026 1.00 14.24 O ATOM 1517 CB ASP A 92 0.859 13.542 6.692 1.00 71.43 C ATOM 1518 CG ASP A 92 1.671 13.598 7.971 1.00 61.44 C ATOM 1519 OD1 ASP A 92 2.026 14.716 8.400 1.00 65.53 O ATOM 1520 OD2 ASP A 92 1.951 12.524 8.543 1.00 74.31 O ATOM 0 H ASP A 92 -0.396 14.169 4.530 1.00 32.14 H new ATOM 0 HA ASP A 92 1.666 15.464 6.174 1.00 64.21 H new ATOM 0 HB2 ASP A 92 -0.191 13.718 6.924 1.00 71.43 H new ATOM 0 HB3 ASP A 92 0.927 12.541 6.265 1.00 71.43 H new ATOM 1525 N LEU A 93 2.195 13.047 3.977 1.00 31.13 N ATOM 1526 CA LEU A 93 3.219 12.422 3.148 1.00 61.53 C ATOM 1527 C LEU A 93 3.975 13.468 2.335 1.00 24.42 C ATOM 1528 O LEU A 93 5.138 13.272 1.979 1.00 14.00 O ATOM 1529 CB LEU A 93 2.586 11.392 2.211 1.00 74.52 C ATOM 1530 CG LEU A 93 2.329 10.008 2.809 1.00 11.14 C ATOM 1531 CD1 LEU A 93 3.527 9.099 2.585 1.00 21.24 C ATOM 1532 CD2 LEU A 93 2.012 10.120 4.294 1.00 72.34 C ATOM 0 H LEU A 93 1.252 12.691 3.822 1.00 31.13 H new ATOM 0 HA LEU A 93 3.927 11.919 3.807 1.00 61.53 H new ATOM 0 HB2 LEU A 93 1.638 11.792 1.851 1.00 74.52 H new ATOM 0 HB3 LEU A 93 3.233 11.276 1.342 1.00 74.52 H new ATOM 0 HG LEU A 93 1.467 9.569 2.306 1.00 11.14 H new ATOM 0 HD11 LEU A 93 3.326 8.119 3.017 1.00 21.24 H new ATOM 0 HD12 LEU A 93 3.709 8.994 1.515 1.00 21.24 H new ATOM 0 HD13 LEU A 93 4.406 9.532 3.062 1.00 21.24 H new ATOM 0 HD21 LEU A 93 1.832 9.126 4.704 1.00 72.34 H new ATOM 0 HD22 LEU A 93 2.854 10.579 4.812 1.00 72.34 H new ATOM 0 HD23 LEU A 93 1.123 10.735 4.431 1.00 72.34 H new ATOM 1544 N LYS A 94 3.309 14.580 2.047 1.00 40.34 N ATOM 1545 CA LYS A 94 3.918 15.660 1.279 1.00 1.22 C ATOM 1546 C LYS A 94 5.033 16.331 2.075 1.00 44.04 C ATOM 1547 O LYS A 94 5.804 17.126 1.535 1.00 34.31 O ATOM 1548 CB LYS A 94 2.861 16.696 0.890 1.00 71.02 C ATOM 1549 CG LYS A 94 1.977 17.128 2.047 1.00 30.41 C ATOM 1550 CD LYS A 94 2.329 18.526 2.527 1.00 64.42 C ATOM 1551 CE LYS A 94 3.414 18.492 3.593 1.00 53.31 C ATOM 1552 NZ LYS A 94 3.250 19.591 4.585 1.00 62.21 N ATOM 0 H LYS A 94 2.346 14.758 2.334 1.00 40.34 H new ATOM 0 HA LYS A 94 4.348 15.231 0.374 1.00 1.22 H new ATOM 0 HB2 LYS A 94 3.359 17.573 0.477 1.00 71.02 H new ATOM 0 HB3 LYS A 94 2.234 16.284 0.099 1.00 71.02 H new ATOM 0 HG2 LYS A 94 0.932 17.101 1.737 1.00 30.41 H new ATOM 0 HG3 LYS A 94 2.084 16.422 2.871 1.00 30.41 H new ATOM 0 HD2 LYS A 94 2.665 19.128 1.683 1.00 64.42 H new ATOM 0 HD3 LYS A 94 1.438 19.009 2.928 1.00 64.42 H new ATOM 0 HE2 LYS A 94 3.388 17.531 4.107 1.00 53.31 H new ATOM 0 HE3 LYS A 94 4.392 18.573 3.119 1.00 53.31 H new ATOM 0 HZ1 LYS A 94 4.166 20.060 4.738 1.00 62.21 H new ATOM 0 HZ2 LYS A 94 2.562 20.283 4.226 1.00 62.21 H new ATOM 0 HZ3 LYS A 94 2.908 19.198 5.485 1.00 62.21 H new ATOM 1566 N LYS A 95 5.116 16.005 3.360 1.00 14.11 N ATOM 1567 CA LYS A 95 6.138 16.573 4.230 1.00 3.42 C ATOM 1568 C LYS A 95 7.525 16.415 3.615 1.00 2.11 C ATOM 1569 O LYS A 95 8.300 17.369 3.558 1.00 45.11 O ATOM 1570 CB LYS A 95 6.099 15.902 5.605 1.00 74.34 C ATOM 1571 CG LYS A 95 5.062 16.496 6.542 1.00 34.41 C ATOM 1572 CD LYS A 95 5.668 17.558 7.443 1.00 0.23 C ATOM 1573 CE LYS A 95 4.733 18.746 7.612 1.00 41.04 C ATOM 1574 NZ LYS A 95 5.137 19.612 8.753 1.00 2.53 N ATOM 0 H LYS A 95 4.486 15.349 3.823 1.00 14.11 H new ATOM 0 HA LYS A 95 5.930 17.637 4.346 1.00 3.42 H new ATOM 0 HB2 LYS A 95 5.893 14.839 5.476 1.00 74.34 H new ATOM 0 HB3 LYS A 95 7.083 15.982 6.067 1.00 74.34 H new ATOM 0 HG2 LYS A 95 4.251 16.932 5.959 1.00 34.41 H new ATOM 0 HG3 LYS A 95 4.626 15.705 7.152 1.00 34.41 H new ATOM 0 HD2 LYS A 95 5.889 17.126 8.419 1.00 0.23 H new ATOM 0 HD3 LYS A 95 6.615 17.896 7.023 1.00 0.23 H new ATOM 0 HE2 LYS A 95 4.724 19.335 6.695 1.00 41.04 H new ATOM 0 HE3 LYS A 95 3.716 18.388 7.770 1.00 41.04 H new ATOM 0 HZ1 LYS A 95 4.475 20.410 8.835 1.00 2.53 H new ATOM 0 HZ2 LYS A 95 5.121 19.057 9.633 1.00 2.53 H new ATOM 0 HZ3 LYS A 95 6.098 19.975 8.590 1.00 2.53 H new ATOM 1588 N GLN A 96 7.829 15.206 3.156 1.00 62.43 N ATOM 1589 CA GLN A 96 9.123 14.924 2.544 1.00 13.13 C ATOM 1590 C GLN A 96 8.948 14.341 1.146 1.00 44.12 C ATOM 1591 O GLN A 96 9.779 13.562 0.679 1.00 14.31 O ATOM 1592 CB GLN A 96 9.923 13.956 3.417 1.00 3.11 C ATOM 1593 CG GLN A 96 9.998 14.373 4.877 1.00 31.11 C ATOM 1594 CD GLN A 96 10.606 15.749 5.061 1.00 51.43 C ATOM 1595 OE1 GLN A 96 11.411 16.199 4.245 1.00 51.13 O ATOM 1596 NE2 GLN A 96 10.223 16.427 6.136 1.00 11.35 N ATOM 0 H GLN A 96 7.198 14.406 3.196 1.00 62.43 H new ATOM 0 HA GLN A 96 9.670 15.863 2.460 1.00 13.13 H new ATOM 0 HB2 GLN A 96 9.472 12.965 3.353 1.00 3.11 H new ATOM 0 HB3 GLN A 96 10.934 13.872 3.019 1.00 3.11 H new ATOM 0 HG2 GLN A 96 8.996 14.363 5.306 1.00 31.11 H new ATOM 0 HG3 GLN A 96 10.589 13.642 5.430 1.00 31.11 H new ATOM 0 HE21 GLN A 96 9.553 16.016 6.786 1.00 11.35 H new ATOM 0 HE22 GLN A 96 10.598 17.359 6.312 1.00 11.35 H new ATOM 1605 N GLY A 97 7.862 14.724 0.481 1.00 31.35 N ATOM 1606 CA GLY A 97 7.598 14.229 -0.857 1.00 22.40 C ATOM 1607 C GLY A 97 6.479 14.985 -1.545 1.00 2.11 C ATOM 1608 O GLY A 97 5.334 14.533 -1.565 1.00 62.00 O ATOM 0 H GLY A 97 7.160 15.368 0.845 1.00 31.35 H new ATOM 0 HA2 GLY A 97 8.506 14.306 -1.455 1.00 22.40 H new ATOM 0 HA3 GLY A 97 7.339 13.171 -0.805 1.00 22.40 H new ATOM 1612 N LYS A 98 6.809 16.142 -2.109 1.00 60.25 N ATOM 1613 CA LYS A 98 5.824 16.964 -2.802 1.00 11.34 C ATOM 1614 C LYS A 98 5.169 16.187 -3.939 1.00 12.11 C ATOM 1615 O LYS A 98 5.524 15.038 -4.203 1.00 43.23 O ATOM 1616 CB LYS A 98 6.482 18.233 -3.349 1.00 64.54 C ATOM 1617 CG LYS A 98 7.544 17.961 -4.401 1.00 24.12 C ATOM 1618 CD LYS A 98 7.478 18.971 -5.534 1.00 71.44 C ATOM 1619 CE LYS A 98 8.690 19.889 -5.534 1.00 40.33 C ATOM 1620 NZ LYS A 98 8.676 20.826 -6.692 1.00 63.21 N ATOM 0 H LYS A 98 7.752 16.532 -2.100 1.00 60.25 H new ATOM 0 HA LYS A 98 5.052 17.243 -2.085 1.00 11.34 H new ATOM 0 HB2 LYS A 98 5.713 18.875 -3.778 1.00 64.54 H new ATOM 0 HB3 LYS A 98 6.933 18.784 -2.523 1.00 64.54 H new ATOM 0 HG2 LYS A 98 8.531 17.994 -3.940 1.00 24.12 H new ATOM 0 HG3 LYS A 98 7.412 16.955 -4.801 1.00 24.12 H new ATOM 0 HD2 LYS A 98 7.418 18.446 -6.487 1.00 71.44 H new ATOM 0 HD3 LYS A 98 6.570 19.566 -5.440 1.00 71.44 H new ATOM 0 HE2 LYS A 98 8.714 20.459 -4.605 1.00 40.33 H new ATOM 0 HE3 LYS A 98 9.600 19.289 -5.563 1.00 40.33 H new ATOM 0 HZ1 LYS A 98 9.518 21.435 -6.656 1.00 63.21 H new ATOM 0 HZ2 LYS A 98 8.679 20.282 -7.579 1.00 63.21 H new ATOM 0 HZ3 LYS A 98 7.821 21.416 -6.651 1.00 63.21 H new ATOM 1634 N ILE A 99 4.212 16.821 -4.609 1.00 4.33 N ATOM 1635 CA ILE A 99 3.510 16.189 -5.719 1.00 44.50 C ATOM 1636 C ILE A 99 3.249 17.186 -6.843 1.00 10.52 C ATOM 1637 O ILE A 99 3.458 18.389 -6.682 1.00 42.13 O ATOM 1638 CB ILE A 99 2.170 15.582 -5.265 1.00 21.21 C ATOM 1639 CG1 ILE A 99 1.213 16.685 -4.811 1.00 13.45 C ATOM 1640 CG2 ILE A 99 2.397 14.576 -4.146 1.00 74.22 C ATOM 1641 CD1 ILE A 99 -0.225 16.441 -5.213 1.00 0.53 C ATOM 0 H ILE A 99 3.905 17.772 -4.402 1.00 4.33 H new ATOM 0 HA ILE A 99 4.155 15.391 -6.087 1.00 44.50 H new ATOM 0 HB ILE A 99 1.719 15.061 -6.110 1.00 21.21 H new ATOM 0 HG12 ILE A 99 1.268 16.778 -3.726 1.00 13.45 H new ATOM 0 HG13 ILE A 99 1.543 17.636 -5.230 1.00 13.45 H new ATOM 0 HG21 ILE A 99 1.441 14.155 -3.835 1.00 74.22 H new ATOM 0 HG22 ILE A 99 3.047 13.776 -4.502 1.00 74.22 H new ATOM 0 HG23 ILE A 99 2.866 15.075 -3.298 1.00 74.22 H new ATOM 0 HD11 ILE A 99 -0.847 17.263 -4.858 1.00 0.53 H new ATOM 0 HD12 ILE A 99 -0.293 16.377 -6.299 1.00 0.53 H new ATOM 0 HD13 ILE A 99 -0.573 15.507 -4.772 1.00 0.53 H new ATOM 1653 N LYS A 100 2.788 16.679 -7.981 1.00 42.11 N ATOM 1654 CA LYS A 100 2.494 17.524 -9.132 1.00 41.14 C ATOM 1655 C LYS A 100 1.051 17.337 -9.590 1.00 1.21 C ATOM 1656 O LYS A 100 0.524 16.225 -9.573 1.00 34.03 O ATOM 1657 CB LYS A 100 3.451 17.204 -10.283 1.00 53.33 C ATOM 1658 CG LYS A 100 4.917 17.325 -9.907 1.00 2.32 C ATOM 1659 CD LYS A 100 5.440 18.732 -10.146 1.00 20.13 C ATOM 1660 CE LYS A 100 6.592 19.065 -9.210 1.00 61.31 C ATOM 1661 NZ LYS A 100 7.832 18.324 -9.572 1.00 43.11 N ATOM 0 H LYS A 100 2.610 15.686 -8.131 1.00 42.11 H new ATOM 0 HA LYS A 100 2.630 18.563 -8.832 1.00 41.14 H new ATOM 0 HB2 LYS A 100 3.257 16.191 -10.634 1.00 53.33 H new ATOM 0 HB3 LYS A 100 3.242 17.875 -11.116 1.00 53.33 H new ATOM 0 HG2 LYS A 100 5.047 17.061 -8.858 1.00 2.32 H new ATOM 0 HG3 LYS A 100 5.503 16.614 -10.490 1.00 2.32 H new ATOM 0 HD2 LYS A 100 5.771 18.828 -11.180 1.00 20.13 H new ATOM 0 HD3 LYS A 100 4.633 19.451 -10.002 1.00 20.13 H new ATOM 0 HE2 LYS A 100 6.787 20.137 -9.241 1.00 61.31 H new ATOM 0 HE3 LYS A 100 6.310 18.822 -8.186 1.00 61.31 H new ATOM 0 HZ1 LYS A 100 8.594 18.578 -8.911 1.00 43.11 H new ATOM 0 HZ2 LYS A 100 7.653 17.301 -9.518 1.00 43.11 H new ATOM 0 HZ3 LYS A 100 8.116 18.575 -10.540 1.00 43.11 H new ATOM 1675 N ASP A 101 0.419 18.431 -10.000 1.00 11.33 N ATOM 1676 CA ASP A 101 -0.963 18.387 -10.465 1.00 4.34 C ATOM 1677 C ASP A 101 -1.033 18.567 -11.978 1.00 2.52 C ATOM 1678 O ASP A 101 -1.171 19.686 -12.474 1.00 23.31 O ATOM 1679 CB ASP A 101 -1.791 19.469 -9.771 1.00 14.53 C ATOM 1680 CG ASP A 101 -3.237 19.474 -10.228 1.00 21.11 C ATOM 1681 OD1 ASP A 101 -3.711 18.421 -10.703 1.00 54.45 O ATOM 1682 OD2 ASP A 101 -3.893 20.530 -10.111 1.00 13.10 O ATOM 0 H ASP A 101 0.841 19.359 -10.020 1.00 11.33 H new ATOM 0 HA ASP A 101 -1.374 17.409 -10.214 1.00 4.34 H new ATOM 0 HB2 ASP A 101 -1.754 19.315 -8.693 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -1.347 20.445 -9.969 1.00 14.53 H new ATOM 1687 N ARG A 102 -0.936 17.460 -12.706 1.00 22.34 N ATOM 1688 CA ARG A 102 -0.986 17.496 -14.162 1.00 62.32 C ATOM 1689 C ARG A 102 -2.402 17.784 -14.651 1.00 14.35 C ATOM 1690 O ARG A 102 -3.386 17.572 -13.941 1.00 25.35 O ATOM 1691 CB ARG A 102 -0.495 16.169 -14.744 1.00 30.54 C ATOM 1692 CG ARG A 102 1.019 16.053 -14.803 1.00 23.52 C ATOM 1693 CD ARG A 102 1.576 16.671 -16.076 1.00 20.23 C ATOM 1694 NE ARG A 102 1.784 18.110 -15.940 1.00 14.02 N ATOM 1695 CZ ARG A 102 2.096 18.907 -16.956 1.00 33.32 C ATOM 1696 NH1 ARG A 102 2.235 18.407 -18.176 1.00 22.11 N ATOM 1697 NH2 ARG A 102 2.269 20.207 -16.752 1.00 75.55 N ATOM 0 H ARG A 102 -0.822 16.526 -12.311 1.00 22.34 H new ATOM 0 HA ARG A 102 -0.332 18.299 -14.502 1.00 62.32 H new ATOM 0 HB2 ARG A 102 -0.891 15.350 -14.143 1.00 30.54 H new ATOM 0 HB3 ARG A 102 -0.899 16.051 -15.749 1.00 30.54 H new ATOM 0 HG2 ARG A 102 1.457 16.547 -13.936 1.00 23.52 H new ATOM 0 HG3 ARG A 102 1.307 15.003 -14.751 1.00 23.52 H new ATOM 0 HD2 ARG A 102 2.521 16.190 -16.329 1.00 20.23 H new ATOM 0 HD3 ARG A 102 0.890 16.480 -16.902 1.00 20.23 H new ATOM 0 HE ARG A 102 1.684 18.526 -15.014 1.00 14.02 H new ATOM 0 HH11 ARG A 102 2.102 17.408 -18.336 1.00 22.11 H new ATOM 0 HH12 ARG A 102 2.475 19.021 -18.955 1.00 22.11 H new ATOM 0 HH21 ARG A 102 2.162 20.595 -15.815 1.00 75.55 H new ATOM 0 HH22 ARG A 102 2.509 20.818 -17.533 1.00 75.55 H new ATOM 1711 N PRO A 103 -2.511 18.281 -15.892 1.00 30.03 N ATOM 1712 CA PRO A 103 -3.802 18.609 -16.503 1.00 14.43 C ATOM 1713 C PRO A 103 -4.625 17.366 -16.823 1.00 13.23 C ATOM 1714 O PRO A 103 -4.078 16.283 -17.030 1.00 44.45 O ATOM 1715 CB PRO A 103 -3.410 19.337 -17.791 1.00 14.41 C ATOM 1716 CG PRO A 103 -2.049 18.827 -18.115 1.00 61.12 C ATOM 1717 CD PRO A 103 -1.382 18.560 -16.795 1.00 25.55 C ATOM 0 HA PRO A 103 -4.429 19.201 -15.837 1.00 14.43 H new ATOM 0 HB2 PRO A 103 -4.114 19.125 -18.596 1.00 14.41 H new ATOM 0 HB3 PRO A 103 -3.404 20.418 -17.649 1.00 14.41 H new ATOM 0 HG2 PRO A 103 -2.105 17.918 -18.715 1.00 61.12 H new ATOM 0 HG3 PRO A 103 -1.486 19.558 -18.696 1.00 61.12 H new ATOM 0 HD2 PRO A 103 -0.697 17.714 -16.855 1.00 25.55 H new ATOM 0 HD3 PRO A 103 -0.800 19.418 -16.458 1.00 25.55 H new ATOM 1725 N VAL A 104 -5.944 17.529 -16.861 1.00 71.33 N ATOM 1726 CA VAL A 104 -6.843 16.419 -17.158 1.00 3.53 C ATOM 1727 C VAL A 104 -7.023 16.245 -18.661 1.00 65.35 C ATOM 1728 O VAL A 104 -7.197 17.218 -19.395 1.00 14.34 O ATOM 1729 CB VAL A 104 -8.223 16.626 -16.507 1.00 54.52 C ATOM 1730 CG1 VAL A 104 -8.932 17.822 -17.126 1.00 63.34 C ATOM 1731 CG2 VAL A 104 -9.068 15.368 -16.640 1.00 12.34 C ATOM 0 H VAL A 104 -6.414 18.418 -16.690 1.00 71.33 H new ATOM 0 HA VAL A 104 -6.385 15.521 -16.744 1.00 3.53 H new ATOM 0 HB VAL A 104 -8.078 16.829 -15.446 1.00 54.52 H new ATOM 0 HG11 VAL A 104 -9.905 17.953 -16.653 1.00 63.34 H new ATOM 0 HG12 VAL A 104 -8.332 18.719 -16.975 1.00 63.34 H new ATOM 0 HG13 VAL A 104 -9.067 17.652 -18.194 1.00 63.34 H new ATOM 0 HG21 VAL A 104 -10.040 15.532 -16.175 1.00 12.34 H new ATOM 0 HG22 VAL A 104 -9.206 15.132 -17.695 1.00 12.34 H new ATOM 0 HG23 VAL A 104 -8.564 14.537 -16.146 1.00 12.34 H new ATOM 1741 N LYS A 105 -6.979 14.997 -19.116 1.00 20.12 N ATOM 1742 CA LYS A 105 -7.139 14.692 -20.533 1.00 2.03 C ATOM 1743 C LYS A 105 -8.612 14.519 -20.889 1.00 42.02 C ATOM 1744 O LYS A 105 -9.392 13.987 -20.100 1.00 63.43 O ATOM 1745 CB LYS A 105 -6.363 13.423 -20.893 1.00 75.30 C ATOM 1746 CG LYS A 105 -5.044 13.695 -21.594 1.00 24.43 C ATOM 1747 CD LYS A 105 -5.256 14.352 -22.947 1.00 2.51 C ATOM 1748 CE LYS A 105 -5.106 13.352 -24.083 1.00 31.03 C ATOM 1749 NZ LYS A 105 -3.693 12.913 -24.253 1.00 34.14 N ATOM 0 H LYS A 105 -6.834 14.180 -18.523 1.00 20.12 H new ATOM 0 HA LYS A 105 -6.741 15.529 -21.107 1.00 2.03 H new ATOM 0 HB2 LYS A 105 -6.171 12.854 -19.983 1.00 75.30 H new ATOM 0 HB3 LYS A 105 -6.984 12.797 -21.535 1.00 75.30 H new ATOM 0 HG2 LYS A 105 -4.425 14.339 -20.969 1.00 24.43 H new ATOM 0 HG3 LYS A 105 -4.501 12.759 -21.724 1.00 24.43 H new ATOM 0 HD2 LYS A 105 -6.249 14.799 -22.984 1.00 2.51 H new ATOM 0 HD3 LYS A 105 -4.537 15.161 -23.076 1.00 2.51 H new ATOM 0 HE2 LYS A 105 -5.735 12.484 -23.888 1.00 31.03 H new ATOM 0 HE3 LYS A 105 -5.461 13.801 -25.011 1.00 31.03 H new ATOM 0 HZ1 LYS A 105 -3.564 12.519 -25.207 1.00 34.14 H new ATOM 0 HZ2 LYS A 105 -3.059 13.727 -24.126 1.00 34.14 H new ATOM 0 HZ3 LYS A 105 -3.468 12.185 -23.545 1.00 34.14 H new ATOM 1763 N GLU A 106 -8.984 14.971 -22.083 1.00 14.25 N ATOM 1764 CA GLU A 106 -10.364 14.865 -22.542 1.00 71.02 C ATOM 1765 C GLU A 106 -10.642 13.477 -23.113 1.00 12.25 C ATOM 1766 O GLU A 106 -9.830 12.924 -23.853 1.00 65.24 O ATOM 1767 CB GLU A 106 -10.656 15.931 -23.600 1.00 50.13 C ATOM 1768 CG GLU A 106 -10.922 17.309 -23.018 1.00 52.25 C ATOM 1769 CD GLU A 106 -12.321 17.442 -22.448 1.00 71.45 C ATOM 1770 OE1 GLU A 106 -13.274 17.586 -23.243 1.00 44.53 O ATOM 1771 OE2 GLU A 106 -12.464 17.401 -21.209 1.00 24.33 O ATOM 0 H GLU A 106 -8.350 15.413 -22.749 1.00 14.25 H new ATOM 0 HA GLU A 106 -11.018 15.025 -21.685 1.00 71.02 H new ATOM 0 HB2 GLU A 106 -9.810 15.992 -24.285 1.00 50.13 H new ATOM 0 HB3 GLU A 106 -11.520 15.621 -24.187 1.00 50.13 H new ATOM 0 HG2 GLU A 106 -10.193 17.515 -22.234 1.00 52.25 H new ATOM 0 HG3 GLU A 106 -10.777 18.061 -23.794 1.00 52.25 H new ATOM 1778 N VAL A 107 -11.797 12.920 -22.761 1.00 63.21 N ATOM 1779 CA VAL A 107 -12.184 11.597 -23.237 1.00 45.24 C ATOM 1780 C VAL A 107 -13.319 11.688 -24.250 1.00 53.43 C ATOM 1781 O VAL A 107 -14.238 12.494 -24.098 1.00 34.30 O ATOM 1782 CB VAL A 107 -12.620 10.687 -22.074 1.00 3.00 C ATOM 1783 CG1 VAL A 107 -13.565 9.603 -22.569 1.00 54.41 C ATOM 1784 CG2 VAL A 107 -11.405 10.075 -21.392 1.00 51.43 C ATOM 0 H VAL A 107 -12.481 13.364 -22.148 1.00 63.21 H new ATOM 0 HA VAL A 107 -11.306 11.164 -23.717 1.00 45.24 H new ATOM 0 HB VAL A 107 -13.153 11.293 -21.342 1.00 3.00 H new ATOM 0 HG11 VAL A 107 -13.862 8.970 -21.733 1.00 54.41 H new ATOM 0 HG12 VAL A 107 -14.450 10.064 -23.007 1.00 54.41 H new ATOM 0 HG13 VAL A 107 -13.061 8.997 -23.322 1.00 54.41 H new ATOM 0 HG21 VAL A 107 -11.732 9.435 -20.573 1.00 51.43 H new ATOM 0 HG22 VAL A 107 -10.843 9.482 -22.114 1.00 51.43 H new ATOM 0 HG23 VAL A 107 -10.769 10.869 -21.001 1.00 51.43 H new ATOM 1794 N HIS A 108 -13.250 10.857 -25.285 1.00 73.11 N ATOM 1795 CA HIS A 108 -14.274 10.843 -26.324 1.00 30.50 C ATOM 1796 C HIS A 108 -14.911 9.461 -26.440 1.00 14.14 C ATOM 1797 O HIS A 108 -14.511 8.524 -25.751 1.00 21.43 O ATOM 1798 CB HIS A 108 -13.672 11.254 -27.668 1.00 74.41 C ATOM 1799 CG HIS A 108 -13.620 12.736 -27.873 1.00 14.43 C ATOM 1800 ND1 HIS A 108 -12.487 13.488 -27.645 1.00 51.24 N ATOM 1801 CD2 HIS A 108 -14.570 13.607 -28.288 1.00 34.32 C ATOM 1802 CE1 HIS A 108 -12.743 14.757 -27.910 1.00 64.11 C ATOM 1803 NE2 HIS A 108 -14.000 14.856 -28.302 1.00 61.34 N ATOM 0 H HIS A 108 -12.496 10.185 -25.427 1.00 73.11 H new ATOM 0 HA HIS A 108 -15.048 11.559 -26.047 1.00 30.50 H new ATOM 0 HB2 HIS A 108 -12.663 10.850 -27.743 1.00 74.41 H new ATOM 0 HB3 HIS A 108 -14.256 10.805 -28.471 1.00 74.41 H new ATOM 0 HD2 HIS A 108 -15.587 13.364 -28.558 1.00 34.32 H new ATOM 0 HE1 HIS A 108 -12.043 15.575 -27.821 1.00 64.11 H new ATOM 0 HE2 HIS A 108 -14.471 15.720 -28.571 1.00 61.34 H new ATOM 1811 N GLU A 109 -15.905 9.345 -27.315 1.00 35.45 N ATOM 1812 CA GLU A 109 -16.598 8.078 -27.518 1.00 74.21 C ATOM 1813 C GLU A 109 -15.780 7.146 -28.407 1.00 44.53 C ATOM 1814 O GLU A 109 -15.453 7.486 -29.544 1.00 73.01 O ATOM 1815 CB GLU A 109 -17.974 8.318 -28.143 1.00 13.31 C ATOM 1816 CG GLU A 109 -19.067 8.592 -27.123 1.00 23.32 C ATOM 1817 CD GLU A 109 -20.457 8.528 -27.725 1.00 43.34 C ATOM 1818 OE1 GLU A 109 -20.792 9.413 -28.540 1.00 10.54 O ATOM 1819 OE2 GLU A 109 -21.209 7.592 -27.382 1.00 52.32 O ATOM 0 H GLU A 109 -16.248 10.112 -27.894 1.00 35.45 H new ATOM 0 HA GLU A 109 -16.726 7.604 -26.545 1.00 74.21 H new ATOM 0 HB2 GLU A 109 -17.910 9.162 -28.829 1.00 13.31 H new ATOM 0 HB3 GLU A 109 -18.252 7.446 -28.735 1.00 13.31 H new ATOM 0 HG2 GLU A 109 -18.992 7.867 -26.313 1.00 23.32 H new ATOM 0 HG3 GLU A 109 -18.910 9.577 -26.684 1.00 23.32 H new ATOM 1826 N GLU A 110 -15.451 5.971 -27.880 1.00 11.33 N ATOM 1827 CA GLU A 110 -14.669 4.992 -28.625 1.00 72.20 C ATOM 1828 C GLU A 110 -14.358 3.773 -27.761 1.00 45.21 C ATOM 1829 O GLU A 110 -14.940 3.592 -26.692 1.00 21.45 O ATOM 1830 CB GLU A 110 -13.368 5.621 -29.128 1.00 20.35 C ATOM 1831 CG GLU A 110 -13.100 5.369 -30.602 1.00 12.41 C ATOM 1832 CD GLU A 110 -14.171 5.960 -31.498 1.00 41.44 C ATOM 1833 OE1 GLU A 110 -15.223 5.311 -31.675 1.00 64.10 O ATOM 1834 OE2 GLU A 110 -13.957 7.073 -32.023 1.00 44.31 O ATOM 0 H GLU A 110 -15.714 5.674 -26.940 1.00 11.33 H new ATOM 0 HA GLU A 110 -15.261 4.667 -29.481 1.00 72.20 H new ATOM 0 HB2 GLU A 110 -13.403 6.696 -28.952 1.00 20.35 H new ATOM 0 HB3 GLU A 110 -12.535 5.229 -28.544 1.00 20.35 H new ATOM 0 HG2 GLU A 110 -12.132 5.794 -30.870 1.00 12.41 H new ATOM 0 HG3 GLU A 110 -13.036 4.295 -30.778 1.00 12.41 H new ATOM 1841 N TYR A 111 -13.436 2.941 -28.233 1.00 1.20 N ATOM 1842 CA TYR A 111 -13.048 1.738 -27.506 1.00 54.02 C ATOM 1843 C TYR A 111 -11.531 1.648 -27.371 1.00 14.32 C ATOM 1844 O TYR A 111 -10.860 1.023 -28.191 1.00 64.32 O ATOM 1845 CB TYR A 111 -13.583 0.493 -28.217 1.00 3.34 C ATOM 1846 CG TYR A 111 -15.017 0.627 -28.677 1.00 2.43 C ATOM 1847 CD1 TYR A 111 -16.038 0.879 -27.769 1.00 21.23 C ATOM 1848 CD2 TYR A 111 -15.350 0.504 -30.020 1.00 33.41 C ATOM 1849 CE1 TYR A 111 -17.349 1.001 -28.185 1.00 15.23 C ATOM 1850 CE2 TYR A 111 -16.659 0.626 -30.445 1.00 51.01 C ATOM 1851 CZ TYR A 111 -17.655 0.874 -29.524 1.00 10.33 C ATOM 1852 OH TYR A 111 -18.960 0.997 -29.942 1.00 71.03 O ATOM 0 H TYR A 111 -12.944 3.078 -29.116 1.00 1.20 H new ATOM 0 HA TYR A 111 -13.480 1.792 -26.507 1.00 54.02 H new ATOM 0 HB2 TYR A 111 -12.952 0.278 -29.080 1.00 3.34 H new ATOM 0 HB3 TYR A 111 -13.504 -0.361 -27.544 1.00 3.34 H new ATOM 0 HD1 TYR A 111 -15.802 0.981 -26.720 1.00 21.23 H new ATOM 0 HD2 TYR A 111 -14.573 0.310 -30.744 1.00 33.41 H new ATOM 0 HE1 TYR A 111 -18.131 1.195 -27.466 1.00 15.23 H new ATOM 0 HE2 TYR A 111 -16.901 0.528 -31.493 1.00 51.01 H new ATOM 0 HH TYR A 111 -19.004 0.882 -30.914 1.00 71.03 H new ATOM 1862 N ASP A 112 -10.999 2.277 -26.329 1.00 41.50 N ATOM 1863 CA ASP A 112 -9.562 2.268 -26.083 1.00 45.42 C ATOM 1864 C ASP A 112 -9.264 1.996 -24.612 1.00 65.42 C ATOM 1865 O ASP A 112 -8.507 1.082 -24.280 1.00 1.21 O ATOM 1866 CB ASP A 112 -8.942 3.602 -26.503 1.00 53.31 C ATOM 1867 CG ASP A 112 -7.449 3.498 -26.742 1.00 61.42 C ATOM 1868 OD1 ASP A 112 -6.946 2.361 -26.861 1.00 42.13 O ATOM 1869 OD2 ASP A 112 -6.783 4.552 -26.809 1.00 40.23 O ATOM 0 H ASP A 112 -11.541 2.800 -25.641 1.00 41.50 H new ATOM 0 HA ASP A 112 -9.122 1.468 -26.679 1.00 45.42 H new ATOM 0 HB2 ASP A 112 -9.429 3.955 -27.412 1.00 53.31 H new ATOM 0 HB3 ASP A 112 -9.132 4.347 -25.730 1.00 53.31 H new ATOM 1874 N LEU A 113 -9.862 2.794 -23.735 1.00 21.31 N ATOM 1875 CA LEU A 113 -9.660 2.639 -22.298 1.00 51.54 C ATOM 1876 C LEU A 113 -10.120 1.263 -21.829 1.00 24.13 C ATOM 1877 O LEU A 113 -10.394 0.379 -22.640 1.00 54.24 O ATOM 1878 CB LEU A 113 -10.417 3.729 -21.537 1.00 44.52 C ATOM 1879 CG LEU A 113 -10.243 5.156 -22.059 1.00 2.33 C ATOM 1880 CD1 LEU A 113 -11.507 5.968 -21.823 1.00 42.44 C ATOM 1881 CD2 LEU A 113 -9.047 5.824 -21.396 1.00 45.24 C ATOM 0 H LEU A 113 -10.491 3.555 -23.993 1.00 21.31 H new ATOM 0 HA LEU A 113 -8.594 2.734 -22.093 1.00 51.54 H new ATOM 0 HB2 LEU A 113 -11.479 3.485 -21.553 1.00 44.52 H new ATOM 0 HB3 LEU A 113 -10.100 3.704 -20.495 1.00 44.52 H new ATOM 0 HG LEU A 113 -10.060 5.110 -23.133 1.00 2.33 H new ATOM 0 HD11 LEU A 113 -11.365 6.981 -22.201 1.00 42.44 H new ATOM 0 HD12 LEU A 113 -12.342 5.500 -22.344 1.00 42.44 H new ATOM 0 HD13 LEU A 113 -11.721 6.006 -20.755 1.00 42.44 H new ATOM 0 HD21 LEU A 113 -8.938 6.839 -21.779 1.00 45.24 H new ATOM 0 HD22 LEU A 113 -9.201 5.858 -20.317 1.00 45.24 H new ATOM 0 HD23 LEU A 113 -8.144 5.254 -21.616 1.00 45.24 H new ATOM 1893 N TRP A 114 -10.202 1.089 -20.515 1.00 15.54 N ATOM 1894 CA TRP A 114 -10.631 -0.179 -19.937 1.00 33.31 C ATOM 1895 C TRP A 114 -12.081 -0.480 -20.300 1.00 33.15 C ATOM 1896 O TRP A 114 -12.435 -1.625 -20.580 1.00 0.12 O ATOM 1897 CB TRP A 114 -10.468 -0.152 -18.416 1.00 41.04 C ATOM 1898 CG TRP A 114 -9.060 -0.397 -17.966 1.00 4.32 C ATOM 1899 CD1 TRP A 114 -8.328 0.374 -17.108 1.00 21.01 C ATOM 1900 CD2 TRP A 114 -8.213 -1.485 -18.352 1.00 32.13 C ATOM 1901 NE1 TRP A 114 -7.078 -0.170 -16.937 1.00 43.13 N ATOM 1902 CE2 TRP A 114 -6.983 -1.311 -17.689 1.00 25.12 C ATOM 1903 CE3 TRP A 114 -8.376 -2.591 -19.191 1.00 3.42 C ATOM 1904 CZ2 TRP A 114 -5.923 -2.201 -17.842 1.00 22.14 C ATOM 1905 CZ3 TRP A 114 -7.323 -3.473 -19.342 1.00 1.24 C ATOM 1906 CH2 TRP A 114 -6.110 -3.275 -18.669 1.00 45.34 C ATOM 0 H TRP A 114 -9.977 1.810 -19.830 1.00 15.54 H new ATOM 0 HA TRP A 114 -10.002 -0.968 -20.348 1.00 33.31 H new ATOM 0 HB2 TRP A 114 -10.799 0.816 -18.039 1.00 41.04 H new ATOM 0 HB3 TRP A 114 -11.120 -0.906 -17.974 1.00 41.04 H new ATOM 0 HD1 TRP A 114 -8.680 1.278 -16.634 1.00 21.01 H new ATOM 0 HE1 TRP A 114 -6.340 0.214 -16.346 1.00 43.13 H new ATOM 0 HE3 TRP A 114 -9.308 -2.753 -19.712 1.00 3.42 H new ATOM 0 HZ2 TRP A 114 -4.986 -2.049 -17.326 1.00 22.14 H new ATOM 0 HZ3 TRP A 114 -7.437 -4.330 -19.990 1.00 1.24 H new ATOM 0 HH2 TRP A 114 -5.307 -3.984 -18.806 1.00 45.34 H new ATOM 1917 N GLU A 115 -12.916 0.555 -20.292 1.00 62.31 N ATOM 1918 CA GLU A 115 -14.328 0.399 -20.620 1.00 70.20 C ATOM 1919 C GLU A 115 -14.876 -0.909 -20.057 1.00 70.51 C ATOM 1920 O GLU A 115 -15.144 -1.853 -20.801 1.00 33.45 O ATOM 1921 CB GLU A 115 -14.530 0.438 -22.136 1.00 43.53 C ATOM 1922 CG GLU A 115 -13.601 -0.492 -22.898 1.00 73.14 C ATOM 1923 CD GLU A 115 -13.861 -0.480 -24.392 1.00 44.14 C ATOM 1924 OE1 GLU A 115 -14.516 0.468 -24.874 1.00 22.23 O ATOM 1925 OE2 GLU A 115 -13.408 -1.419 -25.080 1.00 43.11 O ATOM 0 H GLU A 115 -12.639 1.509 -20.062 1.00 62.31 H new ATOM 0 HA GLU A 115 -14.873 1.227 -20.167 1.00 70.20 H new ATOM 0 HB2 GLU A 115 -15.562 0.173 -22.363 1.00 43.53 H new ATOM 0 HB3 GLU A 115 -14.378 1.458 -22.488 1.00 43.53 H new ATOM 0 HG2 GLU A 115 -12.567 -0.201 -22.710 1.00 73.14 H new ATOM 0 HG3 GLU A 115 -13.720 -1.508 -22.520 1.00 73.14 H new ATOM 1932 N ASP A 116 -15.039 -0.957 -18.740 1.00 21.44 N ATOM 1933 CA ASP A 116 -15.555 -2.149 -18.076 1.00 11.22 C ATOM 1934 C ASP A 116 -15.641 -1.936 -16.568 1.00 31.44 C ATOM 1935 O ASP A 116 -16.715 -1.995 -15.968 1.00 22.51 O ATOM 1936 CB ASP A 116 -14.667 -3.355 -18.384 1.00 20.44 C ATOM 1937 CG ASP A 116 -15.326 -4.331 -19.339 1.00 40.41 C ATOM 1938 OD1 ASP A 116 -16.333 -4.957 -18.947 1.00 22.40 O ATOM 1939 OD2 ASP A 116 -14.836 -4.467 -20.479 1.00 44.53 O ATOM 0 H ASP A 116 -14.821 -0.185 -18.110 1.00 21.44 H new ATOM 0 HA ASP A 116 -16.559 -2.341 -18.455 1.00 11.22 H new ATOM 0 HB2 ASP A 116 -13.727 -3.010 -18.814 1.00 20.44 H new ATOM 0 HB3 ASP A 116 -14.423 -3.869 -17.455 1.00 20.44 H new ATOM 1944 N PRO A 117 -14.484 -1.684 -15.938 1.00 62.13 N ATOM 1945 CA PRO A 117 -14.402 -1.458 -14.492 1.00 60.42 C ATOM 1946 C PRO A 117 -15.031 -0.133 -14.076 1.00 5.02 C ATOM 1947 O PRO A 117 -15.864 -0.088 -13.170 1.00 61.04 O ATOM 1948 CB PRO A 117 -12.896 -1.445 -14.220 1.00 3.20 C ATOM 1949 CG PRO A 117 -12.281 -1.035 -15.513 1.00 63.05 C ATOM 1950 CD PRO A 117 -13.166 -1.599 -16.590 1.00 71.11 C ATOM 0 HA PRO A 117 -14.944 -2.218 -13.929 1.00 60.42 H new ATOM 0 HB2 PRO A 117 -12.644 -0.746 -13.422 1.00 3.20 H new ATOM 0 HB3 PRO A 117 -12.542 -2.427 -13.907 1.00 3.20 H new ATOM 0 HG2 PRO A 117 -12.218 0.051 -15.588 1.00 63.05 H new ATOM 0 HG3 PRO A 117 -11.265 -1.420 -15.601 1.00 63.05 H new ATOM 0 HD2 PRO A 117 -13.193 -0.953 -17.468 1.00 71.11 H new ATOM 0 HD3 PRO A 117 -12.819 -2.577 -16.924 1.00 71.11 H new ATOM 1958 N ILE A 118 -14.626 0.943 -14.742 1.00 14.30 N ATOM 1959 CA ILE A 118 -15.152 2.269 -14.441 1.00 41.23 C ATOM 1960 C ILE A 118 -16.535 2.464 -15.053 1.00 11.00 C ATOM 1961 O ILE A 118 -17.236 3.425 -14.735 1.00 45.11 O ATOM 1962 CB ILE A 118 -14.214 3.377 -14.957 1.00 72.31 C ATOM 1963 CG1 ILE A 118 -14.423 3.594 -16.457 1.00 52.41 C ATOM 1964 CG2 ILE A 118 -12.764 3.021 -14.665 1.00 10.51 C ATOM 1965 CD1 ILE A 118 -13.959 2.432 -17.307 1.00 11.22 C ATOM 0 H ILE A 118 -13.936 0.923 -15.493 1.00 14.30 H new ATOM 0 HA ILE A 118 -15.224 2.341 -13.356 1.00 41.23 H new ATOM 0 HB ILE A 118 -14.452 4.306 -14.438 1.00 72.31 H new ATOM 0 HG12 ILE A 118 -15.482 3.772 -16.646 1.00 52.41 H new ATOM 0 HG13 ILE A 118 -13.889 4.494 -16.763 1.00 52.41 H new ATOM 0 HG21 ILE A 118 -12.113 3.813 -15.035 1.00 10.51 H new ATOM 0 HG22 ILE A 118 -12.626 2.911 -13.589 1.00 10.51 H new ATOM 0 HG23 ILE A 118 -12.513 2.083 -15.161 1.00 10.51 H new ATOM 0 HD11 ILE A 118 -14.138 2.656 -18.359 1.00 11.22 H new ATOM 0 HD12 ILE A 118 -12.893 2.267 -17.148 1.00 11.22 H new ATOM 0 HD13 ILE A 118 -14.511 1.534 -17.028 1.00 11.22 H new ATOM 1977 N TRP A 119 -16.922 1.545 -15.930 1.00 54.21 N ATOM 1978 CA TRP A 119 -18.224 1.615 -16.585 1.00 63.04 C ATOM 1979 C TRP A 119 -19.312 1.019 -15.699 1.00 50.41 C ATOM 1980 O TRP A 119 -20.488 1.353 -15.838 1.00 74.22 O ATOM 1981 CB TRP A 119 -18.182 0.881 -17.927 1.00 32.35 C ATOM 1982 CG TRP A 119 -18.340 1.791 -19.107 1.00 72.50 C ATOM 1983 CD1 TRP A 119 -17.617 1.763 -20.265 1.00 40.52 C ATOM 1984 CD2 TRP A 119 -19.279 2.863 -19.243 1.00 32.21 C ATOM 1985 NE1 TRP A 119 -18.050 2.754 -21.113 1.00 1.51 N ATOM 1986 CE2 TRP A 119 -19.069 3.442 -20.510 1.00 13.24 C ATOM 1987 CE3 TRP A 119 -20.278 3.388 -18.419 1.00 51.41 C ATOM 1988 CZ2 TRP A 119 -19.821 4.521 -20.968 1.00 72.53 C ATOM 1989 CZ3 TRP A 119 -21.023 4.459 -18.876 1.00 32.13 C ATOM 1990 CH2 TRP A 119 -20.792 5.015 -20.141 1.00 14.21 C ATOM 0 H TRP A 119 -16.354 0.743 -16.204 1.00 54.21 H new ATOM 0 HA TRP A 119 -18.459 2.665 -16.760 1.00 63.04 H new ATOM 0 HB2 TRP A 119 -17.235 0.349 -18.012 1.00 32.35 H new ATOM 0 HB3 TRP A 119 -18.972 0.131 -17.947 1.00 32.35 H new ATOM 0 HD1 TRP A 119 -16.822 1.065 -20.482 1.00 40.52 H new ATOM 0 HE1 TRP A 119 -17.673 2.946 -22.041 1.00 1.51 H new ATOM 0 HE3 TRP A 119 -20.465 2.965 -17.443 1.00 51.41 H new ATOM 0 HZ2 TRP A 119 -19.644 4.953 -21.942 1.00 72.53 H new ATOM 0 HZ3 TRP A 119 -21.796 4.874 -18.247 1.00 32.13 H new ATOM 0 HH2 TRP A 119 -21.393 5.850 -20.470 1.00 14.21 H new ATOM 2001 N GLN A 120 -18.911 0.138 -14.789 1.00 35.31 N ATOM 2002 CA GLN A 120 -19.855 -0.504 -13.881 1.00 4.14 C ATOM 2003 C GLN A 120 -19.754 0.093 -12.481 1.00 21.23 C ATOM 2004 O GLN A 120 -20.700 0.707 -11.987 1.00 40.34 O ATOM 2005 CB GLN A 120 -19.597 -2.011 -13.825 1.00 54.34 C ATOM 2006 CG GLN A 120 -20.501 -2.747 -12.850 1.00 14.12 C ATOM 2007 CD GLN A 120 -21.962 -2.690 -13.251 1.00 12.41 C ATOM 2008 OE1 GLN A 120 -22.711 -1.826 -12.792 1.00 24.44 O ATOM 2009 NE2 GLN A 120 -22.376 -3.611 -14.113 1.00 34.25 N ATOM 0 H GLN A 120 -17.940 -0.148 -14.660 1.00 35.31 H new ATOM 0 HA GLN A 120 -20.862 -0.329 -14.260 1.00 4.14 H new ATOM 0 HB2 GLN A 120 -19.732 -2.432 -14.821 1.00 54.34 H new ATOM 0 HB3 GLN A 120 -18.558 -2.183 -13.545 1.00 54.34 H new ATOM 0 HG2 GLN A 120 -20.187 -3.789 -12.785 1.00 14.12 H new ATOM 0 HG3 GLN A 120 -20.384 -2.316 -11.856 1.00 14.12 H new ATOM 0 HE21 GLN A 120 -21.721 -4.308 -14.468 1.00 34.25 H new ATOM 0 HE22 GLN A 120 -23.349 -3.621 -14.420 1.00 34.25 H new ATOM 2018 N TYR A 121 -18.602 -0.093 -11.846 1.00 11.44 N ATOM 2019 CA TYR A 121 -18.379 0.425 -10.501 1.00 22.01 C ATOM 2020 C TYR A 121 -16.887 0.520 -10.194 1.00 53.35 C ATOM 2021 O TYR A 121 -16.106 -0.350 -10.581 1.00 13.24 O ATOM 2022 CB TYR A 121 -19.067 -0.468 -9.467 1.00 71.12 C ATOM 2023 CG TYR A 121 -19.582 0.286 -8.262 1.00 43.21 C ATOM 2024 CD1 TYR A 121 -20.532 1.290 -8.400 1.00 13.01 C ATOM 2025 CD2 TYR A 121 -19.118 -0.006 -6.985 1.00 41.12 C ATOM 2026 CE1 TYR A 121 -21.005 1.982 -7.302 1.00 5.24 C ATOM 2027 CE2 TYR A 121 -19.586 0.680 -5.881 1.00 44.00 C ATOM 2028 CZ TYR A 121 -20.528 1.673 -6.044 1.00 54.54 C ATOM 2029 OH TYR A 121 -20.997 2.360 -4.948 1.00 34.33 O ATOM 0 H TYR A 121 -17.809 -0.598 -12.241 1.00 11.44 H new ATOM 0 HA TYR A 121 -18.807 1.426 -10.449 1.00 22.01 H new ATOM 0 HB2 TYR A 121 -19.899 -0.986 -9.943 1.00 71.12 H new ATOM 0 HB3 TYR A 121 -18.364 -1.232 -9.134 1.00 71.12 H new ATOM 0 HD1 TYR A 121 -20.907 1.534 -9.383 1.00 13.01 H new ATOM 0 HD2 TYR A 121 -18.379 -0.782 -6.853 1.00 41.12 H new ATOM 0 HE1 TYR A 121 -21.744 2.760 -7.427 1.00 5.24 H new ATOM 0 HE2 TYR A 121 -19.216 0.440 -4.895 1.00 44.00 H new ATOM 0 HH TYR A 121 -20.562 2.021 -4.138 1.00 34.33 H new ATOM 2039 N ILE A 122 -16.500 1.583 -9.498 1.00 11.24 N ATOM 2040 CA ILE A 122 -15.103 1.792 -9.137 1.00 53.42 C ATOM 2041 C ILE A 122 -14.214 1.822 -10.376 1.00 35.31 C ATOM 2042 O ILE A 122 -13.770 0.780 -10.859 1.00 4.32 O ATOM 2043 CB ILE A 122 -14.598 0.695 -8.182 1.00 62.23 C ATOM 2044 CG1 ILE A 122 -15.450 0.661 -6.912 1.00 0.40 C ATOM 2045 CG2 ILE A 122 -13.134 0.925 -7.839 1.00 23.13 C ATOM 2046 CD1 ILE A 122 -15.779 -0.738 -6.442 1.00 21.13 C ATOM 0 H ILE A 122 -17.134 2.313 -9.173 1.00 11.24 H new ATOM 0 HA ILE A 122 -15.048 2.756 -8.630 1.00 53.42 H new ATOM 0 HB ILE A 122 -14.687 -0.270 -8.681 1.00 62.23 H new ATOM 0 HG12 ILE A 122 -14.923 1.188 -6.117 1.00 0.40 H new ATOM 0 HG13 ILE A 122 -16.379 1.203 -7.093 1.00 0.40 H new ATOM 0 HG21 ILE A 122 -12.791 0.142 -7.163 1.00 23.13 H new ATOM 0 HG22 ILE A 122 -12.539 0.903 -8.752 1.00 23.13 H new ATOM 0 HG23 ILE A 122 -13.022 1.896 -7.356 1.00 23.13 H new ATOM 0 HD11 ILE A 122 -16.385 -0.685 -5.538 1.00 21.13 H new ATOM 0 HD12 ILE A 122 -16.334 -1.262 -7.220 1.00 21.13 H new ATOM 0 HD13 ILE A 122 -14.856 -1.277 -6.229 1.00 21.13 H new TER 2058 ILE A 122