USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 TYR OH : rot 180:sc= 0.598 USER MOD Set 1.2: A 111 LYS NZ :NH3+ -178:sc= 0.769 (180deg=0.0451) USER MOD Set 2.1: A 51 GLN : amide:sc= -1.06 X(o=-0.4,f=-0.37) USER MOD Set 2.2: A 102 TYR OH : rot -42:sc= 0.662 USER MOD Set 3.1: A 26 TYR OH : rot 76:sc= 0.852 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 HIS : no HD1:sc= -0.791 X(o=-1.1,f=-0.63) USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 2 MET CE :methyl 168:sc= -0.0955 (180deg=-0.316) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 0.953 (180deg=0.513) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.447 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-7.9!) USER MOD Single : A 37 SER OG : rot 69:sc= 0.597 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= 0.252 (180deg=-2.83!) USER MOD Single : A 56 ASN : amide:sc= -0.239 K(o=-0.24,f=-6.3!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0.001) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -70:sc= 0.572 USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-0.612) USER MOD Single : A 97 GLN : amide:sc= 0.306 X(o=0.31,f=-0.05) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.364 -0.389 6.941 1.00 10.54 N ATOM 9 CA MET A 2 18.246 0.564 6.826 1.00 34.11 C ATOM 10 C MET A 2 16.948 0.007 6.271 1.00 71.43 C ATOM 11 O MET A 2 16.237 0.692 5.564 1.00 42.20 O ATOM 12 CB MET A 2 18.646 1.738 5.932 1.00 22.03 C ATOM 13 CG MET A 2 20.061 2.207 6.198 1.00 64.11 C ATOM 14 SD MET A 2 20.615 3.718 5.350 1.00 23.03 S ATOM 15 CE MET A 2 19.348 4.929 5.807 1.00 74.12 C ATOM 0 HA MET A 2 18.051 0.855 7.858 1.00 34.11 H new ATOM 0 HB2 MET A 2 18.554 1.444 4.887 1.00 22.03 H new ATOM 0 HB3 MET A 2 17.955 2.566 6.092 1.00 22.03 H new ATOM 0 HG2 MET A 2 20.167 2.365 7.271 1.00 64.11 H new ATOM 0 HG3 MET A 2 20.740 1.399 5.926 1.00 64.11 H new ATOM 0 HE1 MET A 2 19.684 5.929 5.532 1.00 74.12 H new ATOM 0 HE2 MET A 2 18.420 4.701 5.282 1.00 74.12 H new ATOM 0 HE3 MET A 2 19.176 4.888 6.883 1.00 74.12 H new ATOM 25 N ARG A 3 16.661 -1.237 6.569 1.00 50.50 N ATOM 26 CA ARG A 3 15.574 -2.045 6.020 1.00 22.25 C ATOM 27 C ARG A 3 15.418 -1.888 4.499 1.00 73.41 C ATOM 28 O ARG A 3 14.307 -1.776 3.991 1.00 22.02 O ATOM 29 CB ARG A 3 14.251 -1.878 6.812 1.00 41.22 C ATOM 30 CG ARG A 3 14.095 -2.714 8.091 1.00 11.35 C ATOM 31 CD ARG A 3 13.498 -4.100 7.856 1.00 71.30 C ATOM 32 NE ARG A 3 13.311 -4.854 9.107 1.00 10.11 N ATOM 33 CZ ARG A 3 14.137 -5.772 9.620 1.00 14.45 C ATOM 34 NH1 ARG A 3 15.392 -5.848 9.188 1.00 10.34 N ATOM 35 NH2 ARG A 3 13.710 -6.621 10.544 1.00 52.53 N ATOM 0 H ARG A 3 17.215 -1.758 7.249 1.00 50.50 H new ATOM 0 HA ARG A 3 15.862 -3.087 6.161 1.00 22.25 H new ATOM 0 HB2 ARG A 3 14.146 -0.827 7.079 1.00 41.22 H new ATOM 0 HB3 ARG A 3 13.424 -2.121 6.145 1.00 41.22 H new ATOM 0 HG2 ARG A 3 15.072 -2.825 8.562 1.00 11.35 H new ATOM 0 HG3 ARG A 3 13.462 -2.171 8.793 1.00 11.35 H new ATOM 0 HD2 ARG A 3 12.538 -3.997 7.351 1.00 71.30 H new ATOM 0 HD3 ARG A 3 14.150 -4.665 7.190 1.00 71.30 H new ATOM 0 HE ARG A 3 12.463 -4.655 9.638 1.00 10.11 H new ATOM 0 HH11 ARG A 3 15.723 -5.207 8.467 1.00 10.34 H new ATOM 0 HH12 ARG A 3 16.024 -6.547 9.578 1.00 10.34 H new ATOM 0 HH21 ARG A 3 12.744 -6.577 10.869 1.00 52.53 H new ATOM 0 HH22 ARG A 3 14.347 -7.318 10.930 1.00 52.53 H new ATOM 49 N ILE A 4 16.504 -1.889 3.741 1.00 71.12 N ATOM 50 CA ILE A 4 16.424 -1.760 2.294 1.00 42.50 C ATOM 51 C ILE A 4 16.073 -3.137 1.723 1.00 24.42 C ATOM 52 O ILE A 4 16.881 -4.055 1.895 1.00 23.15 O ATOM 53 CB ILE A 4 17.753 -1.240 1.722 1.00 32.05 C ATOM 54 CG1 ILE A 4 18.197 0.058 2.424 1.00 73.00 C ATOM 55 CG2 ILE A 4 17.558 -0.997 0.217 1.00 12.25 C ATOM 56 CD1 ILE A 4 19.644 0.443 2.137 1.00 64.24 C ATOM 0 H ILE A 4 17.453 -1.978 4.105 1.00 71.12 H new ATOM 0 HA ILE A 4 15.656 -1.038 2.016 1.00 42.50 H new ATOM 0 HB ILE A 4 18.537 -1.978 1.891 1.00 32.05 H new ATOM 0 HG12 ILE A 4 17.544 0.872 2.110 1.00 73.00 H new ATOM 0 HG13 ILE A 4 18.067 -0.058 3.500 1.00 73.00 H new ATOM 0 HG21 ILE A 4 18.488 -0.627 -0.215 1.00 12.25 H new ATOM 0 HG22 ILE A 4 17.279 -1.932 -0.269 1.00 12.25 H new ATOM 0 HG23 ILE A 4 16.769 -0.260 0.067 1.00 12.25 H new ATOM 0 HD11 ILE A 4 19.886 1.366 2.664 1.00 64.24 H new ATOM 0 HD12 ILE A 4 20.307 -0.353 2.476 1.00 64.24 H new ATOM 0 HD13 ILE A 4 19.775 0.592 1.065 1.00 64.24 H new ATOM 68 N PRO A 5 14.930 -3.359 1.054 1.00 4.54 N ATOM 69 CA PRO A 5 14.758 -4.554 0.249 1.00 32.45 C ATOM 70 C PRO A 5 15.673 -4.558 -0.966 1.00 62.21 C ATOM 71 O PRO A 5 15.803 -3.567 -1.687 1.00 25.03 O ATOM 72 CB PRO A 5 13.278 -4.614 -0.148 1.00 22.25 C ATOM 73 CG PRO A 5 12.835 -3.166 -0.034 1.00 5.33 C ATOM 74 CD PRO A 5 13.707 -2.582 1.076 1.00 61.44 C ATOM 0 HA PRO A 5 15.036 -5.440 0.819 1.00 32.45 H new ATOM 0 HB2 PRO A 5 13.147 -4.998 -1.160 1.00 22.25 H new ATOM 0 HB3 PRO A 5 12.708 -5.264 0.516 1.00 22.25 H new ATOM 0 HG2 PRO A 5 12.979 -2.632 -0.973 1.00 5.33 H new ATOM 0 HG3 PRO A 5 11.776 -3.094 0.214 1.00 5.33 H new ATOM 0 HD2 PRO A 5 13.910 -1.525 0.901 1.00 61.44 H new ATOM 0 HD3 PRO A 5 13.212 -2.656 2.044 1.00 61.44 H new ATOM 82 N SER A 6 16.239 -5.730 -1.238 1.00 52.20 N ATOM 83 CA SER A 6 16.977 -5.993 -2.472 1.00 65.30 C ATOM 84 C SER A 6 16.121 -6.768 -3.478 1.00 21.14 C ATOM 85 O SER A 6 16.363 -6.694 -4.686 1.00 34.25 O ATOM 86 CB SER A 6 18.232 -6.801 -2.147 1.00 65.21 C ATOM 87 OG SER A 6 19.126 -6.096 -1.303 1.00 71.11 O ATOM 0 H SER A 6 16.199 -6.529 -0.606 1.00 52.20 H new ATOM 0 HA SER A 6 17.248 -5.037 -2.919 1.00 65.30 H new ATOM 0 HB2 SER A 6 17.944 -7.736 -1.666 1.00 65.21 H new ATOM 0 HB3 SER A 6 18.742 -7.063 -3.074 1.00 65.21 H new ATOM 0 HG SER A 6 19.912 -6.652 -1.121 1.00 71.11 H new ATOM 93 N ALA A 7 15.105 -7.497 -3.000 1.00 74.43 N ATOM 94 CA ALA A 7 14.300 -8.390 -3.818 1.00 14.13 C ATOM 95 C ALA A 7 13.143 -7.664 -4.494 1.00 1.35 C ATOM 96 O ALA A 7 12.054 -8.217 -4.608 1.00 24.11 O ATOM 97 CB ALA A 7 13.800 -9.547 -2.955 1.00 31.04 C ATOM 0 H ALA A 7 14.821 -7.477 -2.020 1.00 74.43 H new ATOM 0 HA ALA A 7 14.925 -8.781 -4.621 1.00 14.13 H new ATOM 0 HB1 ALA A 7 13.196 -10.220 -3.563 1.00 31.04 H new ATOM 0 HB2 ALA A 7 14.652 -10.092 -2.548 1.00 31.04 H new ATOM 0 HB3 ALA A 7 13.195 -9.156 -2.137 1.00 31.04 H new ATOM 103 N ILE A 8 13.367 -6.418 -4.908 1.00 51.43 N ATOM 104 CA ILE A 8 12.371 -5.623 -5.608 1.00 23.15 C ATOM 105 C ILE A 8 11.954 -6.424 -6.832 1.00 10.34 C ATOM 106 O ILE A 8 12.772 -6.644 -7.732 1.00 70.11 O ATOM 107 CB ILE A 8 12.934 -4.249 -6.031 1.00 44.34 C ATOM 108 CG1 ILE A 8 13.686 -3.510 -4.917 1.00 62.21 C ATOM 109 CG2 ILE A 8 11.837 -3.361 -6.651 1.00 15.11 C ATOM 110 CD1 ILE A 8 12.839 -3.211 -3.691 1.00 40.34 C ATOM 0 H ILE A 8 14.252 -5.932 -4.764 1.00 51.43 H new ATOM 0 HA ILE A 8 11.522 -5.422 -4.954 1.00 23.15 H new ATOM 0 HB ILE A 8 13.682 -4.463 -6.794 1.00 44.34 H new ATOM 0 HG12 ILE A 8 14.546 -4.108 -4.615 1.00 62.21 H new ATOM 0 HG13 ILE A 8 14.074 -2.572 -5.315 1.00 62.21 H new ATOM 0 HG21 ILE A 8 12.265 -2.401 -6.938 1.00 15.11 H new ATOM 0 HG22 ILE A 8 11.426 -3.853 -7.532 1.00 15.11 H new ATOM 0 HG23 ILE A 8 11.043 -3.200 -5.921 1.00 15.11 H new ATOM 0 HD11 ILE A 8 13.443 -2.688 -2.950 1.00 40.34 H new ATOM 0 HD12 ILE A 8 11.993 -2.586 -3.977 1.00 40.34 H new ATOM 0 HD13 ILE A 8 12.472 -4.145 -3.266 1.00 40.34 H new ATOM 122 N GLN A 9 10.698 -6.843 -6.842 1.00 53.44 N ATOM 123 CA GLN A 9 10.000 -7.332 -8.004 1.00 74.31 C ATOM 124 C GLN A 9 8.746 -6.492 -8.068 1.00 44.13 C ATOM 125 O GLN A 9 7.891 -6.579 -7.201 1.00 44.01 O ATOM 126 CB GLN A 9 9.700 -8.822 -7.862 1.00 11.22 C ATOM 127 CG GLN A 9 10.880 -9.652 -8.351 1.00 44.34 C ATOM 128 CD GLN A 9 10.623 -11.137 -8.185 1.00 62.21 C ATOM 129 OE1 GLN A 9 10.631 -11.892 -9.151 1.00 44.42 O ATOM 130 NE2 GLN A 9 10.440 -11.603 -6.964 1.00 70.34 N ATOM 0 H GLN A 9 10.120 -6.849 -6.002 1.00 53.44 H new ATOM 0 HA GLN A 9 10.581 -7.246 -8.922 1.00 74.31 H new ATOM 0 HB2 GLN A 9 9.488 -9.059 -6.819 1.00 11.22 H new ATOM 0 HB3 GLN A 9 8.807 -9.076 -8.434 1.00 11.22 H new ATOM 0 HG2 GLN A 9 11.072 -9.430 -9.401 1.00 44.34 H new ATOM 0 HG3 GLN A 9 11.777 -9.373 -7.797 1.00 44.34 H new ATOM 0 HE21 GLN A 9 10.436 -10.963 -6.169 1.00 70.34 H new ATOM 0 HE22 GLN A 9 10.303 -12.603 -6.815 1.00 70.34 H new ATOM 139 N LEU A 10 8.686 -5.596 -9.042 1.00 71.03 N ATOM 140 CA LEU A 10 7.549 -4.697 -9.246 1.00 55.01 C ATOM 141 C LEU A 10 6.329 -5.478 -9.780 1.00 61.40 C ATOM 142 O LEU A 10 5.179 -5.112 -9.546 1.00 72.32 O ATOM 143 CB LEU A 10 8.069 -3.511 -10.099 1.00 75.44 C ATOM 144 CG LEU A 10 7.260 -2.993 -11.300 1.00 23.45 C ATOM 145 CD1 LEU A 10 5.829 -2.607 -10.940 1.00 54.32 C ATOM 146 CD2 LEU A 10 8.002 -1.787 -11.894 1.00 1.54 C ATOM 0 H LEU A 10 9.433 -5.468 -9.724 1.00 71.03 H new ATOM 0 HA LEU A 10 7.157 -4.265 -8.325 1.00 55.01 H new ATOM 0 HB2 LEU A 10 8.214 -2.669 -9.423 1.00 75.44 H new ATOM 0 HB3 LEU A 10 9.053 -3.792 -10.473 1.00 75.44 H new ATOM 0 HG LEU A 10 7.178 -3.802 -12.026 1.00 23.45 H new ATOM 0 HD11 LEU A 10 5.313 -2.250 -11.831 1.00 54.32 H new ATOM 0 HD12 LEU A 10 5.306 -3.477 -10.543 1.00 54.32 H new ATOM 0 HD13 LEU A 10 5.843 -1.818 -10.188 1.00 54.32 H new ATOM 0 HD21 LEU A 10 7.446 -1.402 -12.749 1.00 1.54 H new ATOM 0 HD22 LEU A 10 8.092 -1.007 -11.138 1.00 1.54 H new ATOM 0 HD23 LEU A 10 8.996 -2.095 -12.217 1.00 1.54 H new ATOM 158 N HIS A 11 6.599 -6.591 -10.460 1.00 12.11 N ATOM 159 CA HIS A 11 5.676 -7.429 -11.210 1.00 3.03 C ATOM 160 C HIS A 11 4.839 -6.531 -12.117 1.00 43.22 C ATOM 161 O HIS A 11 3.622 -6.473 -11.999 1.00 44.34 O ATOM 162 CB HIS A 11 4.841 -8.337 -10.288 1.00 63.23 C ATOM 163 CG HIS A 11 5.604 -9.472 -9.652 1.00 73.14 C ATOM 164 ND1 HIS A 11 5.771 -10.723 -10.197 1.00 25.25 N ATOM 165 CD2 HIS A 11 6.229 -9.465 -8.435 1.00 31.34 C ATOM 166 CE1 HIS A 11 6.520 -11.436 -9.338 1.00 23.44 C ATOM 167 NE2 HIS A 11 6.801 -10.727 -8.233 1.00 21.43 N ATOM 0 H HIS A 11 7.550 -6.957 -10.501 1.00 12.11 H new ATOM 0 HA HIS A 11 6.229 -8.126 -11.840 1.00 3.03 H new ATOM 0 HB2 HIS A 11 4.404 -7.725 -9.499 1.00 63.23 H new ATOM 0 HB3 HIS A 11 4.014 -8.752 -10.864 1.00 63.23 H new ATOM 0 HD2 HIS A 11 6.273 -8.631 -7.750 1.00 31.34 H new ATOM 0 HE1 HIS A 11 6.853 -12.448 -9.514 1.00 23.44 H new ATOM 0 HE2 HIS A 11 7.323 -11.042 -7.416 1.00 21.43 H new ATOM 175 N LYS A 12 5.471 -5.801 -13.044 1.00 33.31 N ATOM 176 CA LYS A 12 4.783 -4.862 -13.942 1.00 31.54 C ATOM 177 C LYS A 12 3.705 -5.553 -14.781 1.00 55.11 C ATOM 178 O LYS A 12 2.799 -4.881 -15.262 1.00 61.32 O ATOM 179 CB LYS A 12 5.804 -4.131 -14.838 1.00 53.24 C ATOM 180 CG LYS A 12 5.761 -2.601 -14.692 1.00 31.15 C ATOM 181 CD LYS A 12 4.674 -1.893 -15.503 1.00 75.53 C ATOM 182 CE LYS A 12 5.077 -1.753 -16.973 1.00 40.20 C ATOM 183 NZ LYS A 12 4.002 -1.128 -17.765 1.00 72.54 N ATOM 0 H LYS A 12 6.479 -5.844 -13.194 1.00 33.31 H new ATOM 0 HA LYS A 12 4.274 -4.124 -13.322 1.00 31.54 H new ATOM 0 HB2 LYS A 12 6.807 -4.483 -14.596 1.00 53.24 H new ATOM 0 HB3 LYS A 12 5.617 -4.394 -15.879 1.00 53.24 H new ATOM 0 HG2 LYS A 12 5.621 -2.358 -13.639 1.00 31.15 H new ATOM 0 HG3 LYS A 12 6.730 -2.198 -14.986 1.00 31.15 H new ATOM 0 HD2 LYS A 12 3.742 -2.453 -15.431 1.00 75.53 H new ATOM 0 HD3 LYS A 12 4.487 -0.906 -15.080 1.00 75.53 H new ATOM 0 HE2 LYS A 12 5.984 -1.152 -17.048 1.00 40.20 H new ATOM 0 HE3 LYS A 12 5.310 -2.735 -17.384 1.00 40.20 H new ATOM 0 HZ1 LYS A 12 4.304 -1.046 -18.757 1.00 72.54 H new ATOM 0 HZ2 LYS A 12 3.145 -1.715 -17.711 1.00 72.54 H new ATOM 0 HZ3 LYS A 12 3.797 -0.181 -17.386 1.00 72.54 H new ATOM 197 N ALA A 13 3.774 -6.874 -14.953 1.00 0.01 N ATOM 198 CA ALA A 13 2.731 -7.669 -15.583 1.00 43.10 C ATOM 199 C ALA A 13 1.404 -7.624 -14.810 1.00 33.54 C ATOM 200 O ALA A 13 0.345 -7.613 -15.438 1.00 32.44 O ATOM 201 CB ALA A 13 3.227 -9.113 -15.683 1.00 11.42 C ATOM 0 H ALA A 13 4.575 -7.428 -14.650 1.00 0.01 H new ATOM 0 HA ALA A 13 2.530 -7.252 -16.570 1.00 43.10 H new ATOM 0 HB1 ALA A 13 2.461 -9.729 -16.153 1.00 11.42 H new ATOM 0 HB2 ALA A 13 4.136 -9.145 -16.283 1.00 11.42 H new ATOM 0 HB3 ALA A 13 3.438 -9.495 -14.684 1.00 11.42 H new ATOM 207 N SER A 14 1.456 -7.612 -13.472 1.00 44.10 N ATOM 208 CA SER A 14 0.336 -7.929 -12.579 1.00 72.13 C ATOM 209 C SER A 14 0.148 -6.911 -11.438 1.00 64.41 C ATOM 210 O SER A 14 -0.897 -6.897 -10.786 1.00 61.51 O ATOM 211 CB SER A 14 0.556 -9.344 -12.034 1.00 61.30 C ATOM 212 OG SER A 14 0.715 -10.255 -13.111 1.00 21.21 O ATOM 0 H SER A 14 2.308 -7.373 -12.965 1.00 44.10 H new ATOM 0 HA SER A 14 -0.589 -7.874 -13.153 1.00 72.13 H new ATOM 0 HB2 SER A 14 1.439 -9.364 -11.395 1.00 61.30 H new ATOM 0 HB3 SER A 14 -0.291 -9.641 -11.416 1.00 61.30 H new ATOM 0 HG SER A 14 0.857 -11.158 -12.757 1.00 21.21 H new ATOM 218 N LYS A 15 1.078 -5.962 -11.312 1.00 22.22 N ATOM 219 CA LYS A 15 1.155 -4.830 -10.403 1.00 55.22 C ATOM 220 C LYS A 15 1.233 -5.242 -8.936 1.00 14.25 C ATOM 221 O LYS A 15 0.310 -4.969 -8.162 1.00 52.34 O ATOM 222 CB LYS A 15 0.048 -3.827 -10.736 1.00 42.14 C ATOM 223 CG LYS A 15 0.020 -3.459 -12.214 1.00 55.03 C ATOM 224 CD LYS A 15 -1.040 -4.155 -13.063 1.00 24.21 C ATOM 225 CE LYS A 15 -2.425 -3.973 -12.470 1.00 41.04 C ATOM 226 NZ LYS A 15 -2.983 -5.234 -11.926 1.00 43.31 N ATOM 0 H LYS A 15 1.894 -5.977 -11.924 1.00 22.22 H new ATOM 0 HA LYS A 15 2.103 -4.316 -10.558 1.00 55.22 H new ATOM 0 HB2 LYS A 15 -0.917 -4.247 -10.451 1.00 42.14 H new ATOM 0 HB3 LYS A 15 0.190 -2.924 -10.143 1.00 42.14 H new ATOM 0 HG2 LYS A 15 -0.129 -2.382 -12.296 1.00 55.03 H new ATOM 0 HG3 LYS A 15 0.999 -3.679 -12.640 1.00 55.03 H new ATOM 0 HD2 LYS A 15 -1.020 -3.753 -14.076 1.00 24.21 H new ATOM 0 HD3 LYS A 15 -0.810 -5.218 -13.137 1.00 24.21 H new ATOM 0 HE2 LYS A 15 -2.381 -3.227 -11.676 1.00 41.04 H new ATOM 0 HE3 LYS A 15 -3.096 -3.584 -13.236 1.00 41.04 H new ATOM 0 HZ1 LYS A 15 -3.684 -5.014 -11.190 1.00 43.31 H new ATOM 0 HZ2 LYS A 15 -3.441 -5.770 -12.691 1.00 43.31 H new ATOM 0 HZ3 LYS A 15 -2.216 -5.804 -11.515 1.00 43.31 H new ATOM 240 N THR A 16 2.374 -5.813 -8.547 1.00 4.31 N ATOM 241 CA THR A 16 2.574 -6.379 -7.223 1.00 41.24 C ATOM 242 C THR A 16 4.017 -6.113 -6.759 1.00 42.01 C ATOM 243 O THR A 16 4.921 -6.851 -7.140 1.00 30.45 O ATOM 244 CB THR A 16 2.274 -7.893 -7.293 1.00 10.32 C ATOM 245 OG1 THR A 16 1.019 -8.167 -7.891 1.00 30.31 O ATOM 246 CG2 THR A 16 2.300 -8.551 -5.917 1.00 51.44 C ATOM 0 H THR A 16 3.191 -5.894 -9.153 1.00 4.31 H new ATOM 0 HA THR A 16 1.903 -5.917 -6.499 1.00 41.24 H new ATOM 0 HB THR A 16 3.068 -8.311 -7.911 1.00 10.32 H new ATOM 0 HG1 THR A 16 0.873 -9.136 -7.915 1.00 30.31 H new ATOM 0 HG21 THR A 16 2.083 -9.614 -6.018 1.00 51.44 H new ATOM 0 HG22 THR A 16 3.286 -8.422 -5.471 1.00 51.44 H new ATOM 0 HG23 THR A 16 1.549 -8.087 -5.278 1.00 51.44 H new ATOM 254 N LEU A 17 4.267 -5.080 -5.946 1.00 52.20 N ATOM 255 CA LEU A 17 5.579 -4.846 -5.343 1.00 11.13 C ATOM 256 C LEU A 17 5.863 -5.956 -4.333 1.00 62.32 C ATOM 257 O LEU A 17 5.296 -5.974 -3.240 1.00 3.21 O ATOM 258 CB LEU A 17 5.662 -3.456 -4.689 1.00 20.35 C ATOM 259 CG LEU A 17 6.988 -3.197 -3.917 1.00 60.50 C ATOM 260 CD1 LEU A 17 8.298 -3.341 -4.699 1.00 23.42 C ATOM 261 CD2 LEU A 17 6.940 -1.786 -3.327 1.00 13.25 C ATOM 0 H LEU A 17 3.565 -4.386 -5.690 1.00 52.20 H new ATOM 0 HA LEU A 17 6.340 -4.865 -6.123 1.00 11.13 H new ATOM 0 HB2 LEU A 17 5.549 -2.695 -5.461 1.00 20.35 H new ATOM 0 HB3 LEU A 17 4.825 -3.339 -4.001 1.00 20.35 H new ATOM 0 HG LEU A 17 7.022 -3.992 -3.172 1.00 60.50 H new ATOM 0 HD11 LEU A 17 9.140 -3.133 -4.039 1.00 23.42 H new ATOM 0 HD12 LEU A 17 8.382 -4.357 -5.085 1.00 23.42 H new ATOM 0 HD13 LEU A 17 8.305 -2.636 -5.530 1.00 23.42 H new ATOM 0 HD21 LEU A 17 7.863 -1.588 -2.782 1.00 13.25 H new ATOM 0 HD22 LEU A 17 6.831 -1.059 -4.132 1.00 13.25 H new ATOM 0 HD23 LEU A 17 6.092 -1.705 -2.647 1.00 13.25 H new ATOM 273 N THR A 18 6.748 -6.871 -4.704 1.00 72.53 N ATOM 274 CA THR A 18 7.214 -7.966 -3.876 1.00 61.51 C ATOM 275 C THR A 18 8.616 -7.689 -3.396 1.00 53.12 C ATOM 276 O THR A 18 9.407 -7.011 -4.061 1.00 73.40 O ATOM 277 CB THR A 18 7.095 -9.292 -4.654 1.00 2.35 C ATOM 278 OG1 THR A 18 5.786 -9.392 -5.188 1.00 10.33 O ATOM 279 CG2 THR A 18 7.441 -10.559 -3.846 1.00 62.10 C ATOM 0 H THR A 18 7.177 -6.867 -5.630 1.00 72.53 H new ATOM 0 HA THR A 18 6.590 -8.059 -2.987 1.00 61.51 H new ATOM 0 HB THR A 18 7.847 -9.253 -5.442 1.00 2.35 H new ATOM 0 HG1 THR A 18 5.699 -10.231 -5.687 1.00 10.33 H new ATOM 0 HG21 THR A 18 7.327 -11.438 -4.481 1.00 62.10 H new ATOM 0 HG22 THR A 18 8.471 -10.496 -3.495 1.00 62.10 H new ATOM 0 HG23 THR A 18 6.770 -10.640 -2.991 1.00 62.10 H new ATOM 287 N LEU A 19 8.833 -8.158 -2.170 1.00 4.43 N ATOM 288 CA LEU A 19 9.956 -7.895 -1.311 1.00 14.41 C ATOM 289 C LEU A 19 10.338 -9.203 -0.664 1.00 63.12 C ATOM 290 O LEU A 19 9.737 -10.256 -0.878 1.00 65.20 O ATOM 291 CB LEU A 19 9.575 -6.901 -0.190 1.00 30.53 C ATOM 292 CG LEU A 19 9.493 -5.451 -0.637 1.00 24.12 C ATOM 293 CD1 LEU A 19 8.306 -5.217 -1.479 1.00 21.23 C ATOM 294 CD2 LEU A 19 9.538 -4.494 0.560 1.00 33.43 C ATOM 0 H LEU A 19 8.162 -8.785 -1.725 1.00 4.43 H new ATOM 0 HA LEU A 19 10.770 -7.467 -1.896 1.00 14.41 H new ATOM 0 HB2 LEU A 19 8.612 -7.195 0.227 1.00 30.53 H new ATOM 0 HB3 LEU A 19 10.308 -6.980 0.613 1.00 30.53 H new ATOM 0 HG LEU A 19 10.371 -5.243 -1.249 1.00 24.12 H new ATOM 0 HD11 LEU A 19 8.276 -4.171 -1.783 1.00 21.23 H new ATOM 0 HD12 LEU A 19 8.358 -5.850 -2.365 1.00 21.23 H new ATOM 0 HD13 LEU A 19 7.406 -5.457 -0.913 1.00 21.23 H new ATOM 0 HD21 LEU A 19 9.477 -3.465 0.206 1.00 33.43 H new ATOM 0 HD22 LEU A 19 8.697 -4.700 1.222 1.00 33.43 H new ATOM 0 HD23 LEU A 19 10.472 -4.636 1.104 1.00 33.43 H new ATOM 306 N ARG A 20 11.341 -9.071 0.183 1.00 14.44 N ATOM 307 CA ARG A 20 11.895 -10.180 0.964 1.00 23.41 C ATOM 308 C ARG A 20 12.262 -9.839 2.409 1.00 10.45 C ATOM 309 O ARG A 20 13.429 -9.546 2.682 1.00 73.12 O ATOM 310 CB ARG A 20 13.072 -10.762 0.186 1.00 13.14 C ATOM 311 CG ARG A 20 13.434 -12.153 0.688 1.00 65.21 C ATOM 312 CD ARG A 20 14.436 -12.751 -0.301 1.00 54.10 C ATOM 313 NE ARG A 20 15.772 -12.162 -0.132 1.00 4.12 N ATOM 314 CZ ARG A 20 16.883 -12.520 -0.777 1.00 43.12 C ATOM 315 NH1 ARG A 20 16.830 -13.337 -1.824 1.00 22.04 N ATOM 316 NH2 ARG A 20 18.045 -12.055 -0.335 1.00 23.44 N ATOM 0 H ARG A 20 11.806 -8.180 0.356 1.00 14.44 H new ATOM 0 HA ARG A 20 11.108 -10.924 1.086 1.00 23.41 H new ATOM 0 HB2 ARG A 20 12.822 -10.809 -0.874 1.00 13.14 H new ATOM 0 HB3 ARG A 20 13.935 -10.103 0.281 1.00 13.14 H new ATOM 0 HG2 ARG A 20 13.866 -12.100 1.687 1.00 65.21 H new ATOM 0 HG3 ARG A 20 12.544 -12.779 0.759 1.00 65.21 H new ATOM 0 HD2 ARG A 20 14.492 -13.830 -0.158 1.00 54.10 H new ATOM 0 HD3 ARG A 20 14.089 -12.582 -1.320 1.00 54.10 H new ATOM 0 HE ARG A 20 15.858 -11.404 0.546 1.00 4.12 H new ATOM 0 HH11 ARG A 20 15.931 -13.699 -2.144 1.00 22.04 H new ATOM 0 HH12 ARG A 20 17.688 -13.602 -2.308 1.00 22.04 H new ATOM 0 HH21 ARG A 20 18.072 -11.440 0.479 1.00 23.44 H new ATOM 0 HH22 ARG A 20 18.911 -12.312 -0.809 1.00 23.44 H new ATOM 330 N TYR A 21 11.292 -9.752 3.320 1.00 64.01 N ATOM 331 CA TYR A 21 11.521 -9.413 4.725 1.00 64.33 C ATOM 332 C TYR A 21 12.315 -10.526 5.428 1.00 32.44 C ATOM 333 O TYR A 21 11.772 -11.470 6.010 1.00 24.42 O ATOM 334 CB TYR A 21 10.195 -9.095 5.423 1.00 10.14 C ATOM 335 CG TYR A 21 10.356 -8.468 6.797 1.00 54.22 C ATOM 336 CD1 TYR A 21 10.462 -7.069 6.938 1.00 12.31 C ATOM 337 CD2 TYR A 21 10.399 -9.286 7.942 1.00 63.11 C ATOM 338 CE1 TYR A 21 10.592 -6.488 8.209 1.00 30.25 C ATOM 339 CE2 TYR A 21 10.554 -8.715 9.216 1.00 44.44 C ATOM 340 CZ TYR A 21 10.638 -7.313 9.351 1.00 42.00 C ATOM 341 OH TYR A 21 10.757 -6.748 10.578 1.00 41.24 O ATOM 0 H TYR A 21 10.310 -9.918 3.099 1.00 64.01 H new ATOM 0 HA TYR A 21 12.131 -8.511 4.782 1.00 64.33 H new ATOM 0 HB2 TYR A 21 9.617 -8.420 4.792 1.00 10.14 H new ATOM 0 HB3 TYR A 21 9.617 -10.014 5.520 1.00 10.14 H new ATOM 0 HD1 TYR A 21 10.443 -6.439 6.061 1.00 12.31 H new ATOM 0 HD2 TYR A 21 10.312 -10.358 7.840 1.00 63.11 H new ATOM 0 HE1 TYR A 21 10.656 -5.415 8.311 1.00 30.25 H new ATOM 0 HE2 TYR A 21 10.609 -9.347 10.090 1.00 44.44 H new ATOM 0 HH TYR A 21 10.773 -7.450 11.261 1.00 41.24 H new ATOM 351 N GLY A 22 13.638 -10.404 5.383 1.00 72.20 N ATOM 352 CA GLY A 22 14.551 -11.362 5.965 1.00 24.24 C ATOM 353 C GLY A 22 14.723 -12.524 5.016 1.00 22.12 C ATOM 354 O GLY A 22 15.563 -12.478 4.113 1.00 50.24 O ATOM 0 H GLY A 22 14.107 -9.619 4.931 1.00 72.20 H new ATOM 0 HA2 GLY A 22 15.514 -10.891 6.161 1.00 24.24 H new ATOM 0 HA3 GLY A 22 14.167 -11.713 6.923 1.00 24.24 H new ATOM 358 N GLU A 23 13.898 -13.533 5.221 1.00 11.12 N ATOM 359 CA GLU A 23 13.873 -14.781 4.483 1.00 24.31 C ATOM 360 C GLU A 23 12.484 -15.009 3.875 1.00 14.43 C ATOM 361 O GLU A 23 12.349 -15.746 2.901 1.00 30.31 O ATOM 362 CB GLU A 23 14.424 -15.871 5.399 1.00 24.24 C ATOM 363 CG GLU A 23 13.354 -16.410 6.316 1.00 23.41 C ATOM 364 CD GLU A 23 13.980 -17.317 7.376 1.00 73.14 C ATOM 365 OE1 GLU A 23 14.474 -18.414 7.023 1.00 4.15 O ATOM 366 OE2 GLU A 23 14.082 -16.863 8.542 1.00 5.43 O ATOM 0 H GLU A 23 13.185 -13.501 5.950 1.00 11.12 H new ATOM 0 HA GLU A 23 14.522 -14.779 3.607 1.00 24.31 H new ATOM 0 HB2 GLU A 23 14.832 -16.683 4.797 1.00 24.24 H new ATOM 0 HB3 GLU A 23 15.246 -15.469 5.992 1.00 24.24 H new ATOM 0 HG2 GLU A 23 12.827 -15.586 6.797 1.00 23.41 H new ATOM 0 HG3 GLU A 23 12.616 -16.967 5.739 1.00 23.41 H new ATOM 373 N ASP A 24 11.473 -14.300 4.384 1.00 4.05 N ATOM 374 CA ASP A 24 10.087 -14.395 3.926 1.00 12.02 C ATOM 375 C ASP A 24 9.922 -13.486 2.710 1.00 21.11 C ATOM 376 O ASP A 24 10.474 -12.383 2.703 1.00 73.40 O ATOM 377 CB ASP A 24 9.118 -13.892 5.010 1.00 21.13 C ATOM 378 CG ASP A 24 8.809 -14.882 6.136 1.00 11.03 C ATOM 379 OD1 ASP A 24 9.722 -15.228 6.926 1.00 23.43 O ATOM 380 OD2 ASP A 24 7.623 -15.270 6.249 1.00 4.35 O ATOM 0 H ASP A 24 11.599 -13.630 5.142 1.00 4.05 H new ATOM 0 HA ASP A 24 9.866 -15.436 3.692 1.00 12.02 H new ATOM 0 HB2 ASP A 24 9.534 -12.987 5.451 1.00 21.13 H new ATOM 0 HB3 ASP A 24 8.180 -13.611 4.531 1.00 21.13 H new ATOM 385 N SER A 25 9.131 -13.871 1.707 1.00 2.12 N ATOM 386 CA SER A 25 8.678 -13.006 0.646 1.00 13.14 C ATOM 387 C SER A 25 7.209 -12.646 0.869 1.00 50.10 C ATOM 388 O SER A 25 6.395 -13.519 1.178 1.00 73.32 O ATOM 389 CB SER A 25 8.816 -13.760 -0.667 1.00 41.31 C ATOM 390 OG SER A 25 10.134 -14.246 -0.880 1.00 34.42 O ATOM 0 H SER A 25 8.784 -14.826 1.619 1.00 2.12 H new ATOM 0 HA SER A 25 9.269 -12.091 0.627 1.00 13.14 H new ATOM 0 HB2 SER A 25 8.118 -14.597 -0.677 1.00 41.31 H new ATOM 0 HB3 SER A 25 8.537 -13.103 -1.491 1.00 41.31 H new ATOM 0 HG SER A 25 10.172 -14.724 -1.735 1.00 34.42 H new ATOM 396 N TYR A 26 6.861 -11.382 0.638 1.00 3.23 N ATOM 397 CA TYR A 26 5.492 -10.887 0.642 1.00 23.45 C ATOM 398 C TYR A 26 5.273 -10.062 -0.617 1.00 24.54 C ATOM 399 O TYR A 26 6.173 -9.328 -1.038 1.00 62.12 O ATOM 400 CB TYR A 26 5.221 -10.061 1.896 1.00 43.43 C ATOM 401 CG TYR A 26 5.508 -10.800 3.183 1.00 70.13 C ATOM 402 CD1 TYR A 26 4.617 -11.796 3.633 1.00 45.32 C ATOM 403 CD2 TYR A 26 6.671 -10.493 3.913 1.00 31.45 C ATOM 404 CE1 TYR A 26 4.892 -12.501 4.819 1.00 54.03 C ATOM 405 CE2 TYR A 26 6.926 -11.176 5.117 1.00 72.13 C ATOM 406 CZ TYR A 26 6.049 -12.192 5.565 1.00 1.12 C ATOM 407 OH TYR A 26 6.305 -12.825 6.740 1.00 11.21 O ATOM 0 H TYR A 26 7.547 -10.654 0.437 1.00 3.23 H new ATOM 0 HA TYR A 26 4.795 -11.725 0.652 1.00 23.45 H new ATOM 0 HB2 TYR A 26 5.829 -9.157 1.863 1.00 43.43 H new ATOM 0 HB3 TYR A 26 4.178 -9.744 1.894 1.00 43.43 H new ATOM 0 HD1 TYR A 26 3.724 -12.018 3.068 1.00 45.32 H new ATOM 0 HD2 TYR A 26 7.360 -9.742 3.554 1.00 31.45 H new ATOM 0 HE1 TYR A 26 4.220 -13.276 5.157 1.00 54.03 H new ATOM 0 HE2 TYR A 26 7.797 -10.923 5.703 1.00 72.13 H new ATOM 0 HH TYR A 26 6.629 -13.732 6.559 1.00 11.21 H new ATOM 417 N ASP A 27 4.078 -10.186 -1.190 1.00 31.52 N ATOM 418 CA ASP A 27 3.768 -9.869 -2.576 1.00 45.04 C ATOM 419 C ASP A 27 2.635 -8.851 -2.551 1.00 73.24 C ATOM 420 O ASP A 27 1.459 -9.232 -2.527 1.00 42.01 O ATOM 421 CB ASP A 27 3.330 -11.135 -3.345 1.00 72.50 C ATOM 422 CG ASP A 27 4.362 -12.253 -3.486 1.00 13.42 C ATOM 423 OD1 ASP A 27 4.749 -12.837 -2.444 1.00 50.41 O ATOM 424 OD2 ASP A 27 4.633 -12.668 -4.639 1.00 13.04 O ATOM 0 H ASP A 27 3.265 -10.526 -0.675 1.00 31.52 H new ATOM 0 HA ASP A 27 4.646 -9.471 -3.084 1.00 45.04 H new ATOM 0 HB2 ASP A 27 2.451 -11.546 -2.848 1.00 72.50 H new ATOM 0 HB3 ASP A 27 3.019 -10.833 -4.345 1.00 72.50 H new ATOM 429 N LEU A 28 2.950 -7.556 -2.435 1.00 65.40 N ATOM 430 CA LEU A 28 1.906 -6.595 -2.092 1.00 74.51 C ATOM 431 C LEU A 28 1.341 -5.984 -3.370 1.00 33.33 C ATOM 432 O LEU A 28 2.114 -5.627 -4.258 1.00 32.24 O ATOM 433 CB LEU A 28 2.435 -5.460 -1.209 1.00 64.32 C ATOM 434 CG LEU A 28 3.521 -5.812 -0.180 1.00 12.04 C ATOM 435 CD1 LEU A 28 3.670 -4.599 0.734 1.00 5.02 C ATOM 436 CD2 LEU A 28 3.285 -7.048 0.693 1.00 11.01 C ATOM 0 H LEU A 28 3.882 -7.164 -2.568 1.00 65.40 H new ATOM 0 HA LEU A 28 1.137 -7.134 -1.538 1.00 74.51 H new ATOM 0 HB2 LEU A 28 2.829 -4.681 -1.862 1.00 64.32 H new ATOM 0 HB3 LEU A 28 1.590 -5.029 -0.673 1.00 64.32 H new ATOM 0 HG LEU A 28 4.408 -6.064 -0.761 1.00 12.04 H new ATOM 0 HD11 LEU A 28 4.433 -4.801 1.485 1.00 5.02 H new ATOM 0 HD12 LEU A 28 3.963 -3.732 0.143 1.00 5.02 H new ATOM 0 HD13 LEU A 28 2.720 -4.397 1.228 1.00 5.02 H new ATOM 0 HD21 LEU A 28 4.127 -7.180 1.373 1.00 11.01 H new ATOM 0 HD22 LEU A 28 2.370 -6.916 1.270 1.00 11.01 H new ATOM 0 HD23 LEU A 28 3.190 -7.929 0.058 1.00 11.01 H new ATOM 448 N PRO A 29 0.033 -5.715 -3.448 1.00 10.12 N ATOM 449 CA PRO A 29 -0.570 -5.198 -4.667 1.00 70.30 C ATOM 450 C PRO A 29 -0.394 -3.679 -4.792 1.00 52.24 C ATOM 451 O PRO A 29 -0.283 -2.950 -3.800 1.00 0.41 O ATOM 452 CB PRO A 29 -2.041 -5.599 -4.561 1.00 4.02 C ATOM 453 CG PRO A 29 -2.294 -5.594 -3.055 1.00 73.31 C ATOM 454 CD PRO A 29 -0.981 -6.121 -2.492 1.00 65.52 C ATOM 0 HA PRO A 29 -0.100 -5.602 -5.563 1.00 70.30 H new ATOM 0 HB2 PRO A 29 -2.689 -4.894 -5.081 1.00 4.02 H new ATOM 0 HB3 PRO A 29 -2.223 -6.581 -4.997 1.00 4.02 H new ATOM 0 HG2 PRO A 29 -2.520 -4.594 -2.686 1.00 73.31 H new ATOM 0 HG3 PRO A 29 -3.136 -6.232 -2.784 1.00 73.31 H new ATOM 0 HD2 PRO A 29 -0.781 -5.705 -1.505 1.00 65.52 H new ATOM 0 HD3 PRO A 29 -1.007 -7.205 -2.382 1.00 65.52 H new ATOM 462 N ALA A 30 -0.483 -3.168 -6.023 1.00 21.51 N ATOM 463 CA ALA A 30 -0.501 -1.738 -6.332 1.00 53.24 C ATOM 464 C ALA A 30 -1.791 -1.036 -5.837 1.00 13.02 C ATOM 465 O ALA A 30 -1.871 0.189 -5.941 1.00 12.21 O ATOM 466 CB ALA A 30 -0.316 -1.553 -7.842 1.00 71.12 C ATOM 0 H ALA A 30 -0.546 -3.755 -6.855 1.00 21.51 H new ATOM 0 HA ALA A 30 0.322 -1.263 -5.797 1.00 53.24 H new ATOM 0 HB1 ALA A 30 -0.328 -0.490 -8.082 1.00 71.12 H new ATOM 0 HB2 ALA A 30 0.638 -1.983 -8.147 1.00 71.12 H new ATOM 0 HB3 ALA A 30 -1.126 -2.054 -8.372 1.00 71.12 H new ATOM 472 N GLU A 31 -2.721 -1.731 -5.165 1.00 43.43 N ATOM 473 CA GLU A 31 -3.785 -1.113 -4.359 1.00 63.22 C ATOM 474 C GLU A 31 -3.379 -0.891 -2.880 1.00 51.01 C ATOM 475 O GLU A 31 -3.669 0.164 -2.318 1.00 61.52 O ATOM 476 CB GLU A 31 -5.093 -1.912 -4.520 1.00 71.53 C ATOM 477 CG GLU A 31 -5.070 -3.274 -3.814 1.00 3.05 C ATOM 478 CD GLU A 31 -6.219 -4.213 -4.195 1.00 71.13 C ATOM 479 OE1 GLU A 31 -7.386 -3.766 -4.207 1.00 14.13 O ATOM 480 OE2 GLU A 31 -5.928 -5.412 -4.430 1.00 61.10 O ATOM 0 H GLU A 31 -2.756 -2.750 -5.166 1.00 43.43 H new ATOM 0 HA GLU A 31 -3.958 -0.107 -4.741 1.00 63.22 H new ATOM 0 HB2 GLU A 31 -5.921 -1.322 -4.126 1.00 71.53 H new ATOM 0 HB3 GLU A 31 -5.287 -2.065 -5.582 1.00 71.53 H new ATOM 0 HG2 GLU A 31 -4.125 -3.769 -4.039 1.00 3.05 H new ATOM 0 HG3 GLU A 31 -5.095 -3.110 -2.737 1.00 3.05 H new ATOM 487 N PHE A 32 -2.682 -1.845 -2.246 1.00 64.20 N ATOM 488 CA PHE A 32 -2.449 -1.890 -0.794 1.00 33.35 C ATOM 489 C PHE A 32 -1.518 -0.776 -0.293 1.00 23.35 C ATOM 490 O PHE A 32 -1.826 -0.104 0.685 1.00 43.41 O ATOM 491 CB PHE A 32 -1.910 -3.283 -0.428 1.00 62.10 C ATOM 492 CG PHE A 32 -1.398 -3.488 0.991 1.00 33.45 C ATOM 493 CD1 PHE A 32 -2.295 -3.702 2.057 1.00 62.21 C ATOM 494 CD2 PHE A 32 -0.015 -3.528 1.249 1.00 42.30 C ATOM 495 CE1 PHE A 32 -1.823 -3.939 3.356 1.00 33.52 C ATOM 496 CE2 PHE A 32 0.454 -3.751 2.557 1.00 42.11 C ATOM 497 CZ PHE A 32 -0.447 -3.916 3.613 1.00 33.35 C ATOM 0 H PHE A 32 -2.253 -2.627 -2.741 1.00 64.20 H new ATOM 0 HA PHE A 32 -3.399 -1.712 -0.291 1.00 33.35 H new ATOM 0 HB2 PHE A 32 -2.703 -4.008 -0.607 1.00 62.10 H new ATOM 0 HB3 PHE A 32 -1.099 -3.521 -1.116 1.00 62.10 H new ATOM 0 HD1 PHE A 32 -3.359 -3.683 1.871 1.00 62.21 H new ATOM 0 HD2 PHE A 32 0.688 -3.387 0.441 1.00 42.30 H new ATOM 0 HE1 PHE A 32 -2.520 -4.139 4.157 1.00 33.52 H new ATOM 0 HE2 PHE A 32 1.516 -3.795 2.746 1.00 42.11 H new ATOM 0 HZ PHE A 32 -0.083 -4.025 4.624 1.00 33.35 H new ATOM 507 N LEU A 33 -0.377 -0.558 -0.939 1.00 63.30 N ATOM 508 CA LEU A 33 0.556 0.524 -0.614 1.00 14.14 C ATOM 509 C LEU A 33 -0.126 1.896 -0.680 1.00 4.45 C ATOM 510 O LEU A 33 0.064 2.696 0.231 1.00 40.34 O ATOM 511 CB LEU A 33 1.819 0.425 -1.493 1.00 33.34 C ATOM 512 CG LEU A 33 2.730 -0.728 -1.018 1.00 60.41 C ATOM 513 CD1 LEU A 33 3.309 -1.492 -2.213 1.00 4.42 C ATOM 514 CD2 LEU A 33 3.860 -0.203 -0.127 1.00 75.51 C ATOM 0 H LEU A 33 -0.066 -1.138 -1.719 1.00 63.30 H new ATOM 0 HA LEU A 33 0.881 0.410 0.420 1.00 14.14 H new ATOM 0 HB2 LEU A 33 1.532 0.263 -2.532 1.00 33.34 H new ATOM 0 HB3 LEU A 33 2.367 1.366 -1.456 1.00 33.34 H new ATOM 0 HG LEU A 33 2.120 -1.414 -0.431 1.00 60.41 H new ATOM 0 HD11 LEU A 33 3.947 -2.299 -1.854 1.00 4.42 H new ATOM 0 HD12 LEU A 33 2.496 -1.909 -2.807 1.00 4.42 H new ATOM 0 HD13 LEU A 33 3.897 -0.812 -2.830 1.00 4.42 H new ATOM 0 HD21 LEU A 33 4.487 -1.035 0.194 1.00 75.51 H new ATOM 0 HD22 LEU A 33 4.464 0.511 -0.688 1.00 75.51 H new ATOM 0 HD23 LEU A 33 3.435 0.289 0.748 1.00 75.51 H new ATOM 526 N ARG A 34 -0.998 2.146 -1.665 1.00 13.15 N ATOM 527 CA ARG A 34 -1.733 3.416 -1.792 1.00 75.50 C ATOM 528 C ARG A 34 -2.522 3.710 -0.524 1.00 14.24 C ATOM 529 O ARG A 34 -2.483 4.845 -0.044 1.00 64.34 O ATOM 530 CB ARG A 34 -2.626 3.399 -3.046 1.00 62.14 C ATOM 531 CG ARG A 34 -3.687 4.510 -3.155 1.00 20.33 C ATOM 532 CD ARG A 34 -3.167 5.950 -3.079 1.00 64.13 C ATOM 533 NE ARG A 34 -2.119 6.265 -4.065 1.00 23.25 N ATOM 534 CZ ARG A 34 -0.907 6.761 -3.777 1.00 23.32 C ATOM 535 NH1 ARG A 34 -0.604 7.093 -2.526 1.00 60.54 N ATOM 536 NH2 ARG A 34 0.011 6.950 -4.716 1.00 71.22 N ATOM 0 H ARG A 34 -1.216 1.473 -2.400 1.00 13.15 H new ATOM 0 HA ARG A 34 -1.017 4.228 -1.917 1.00 75.50 H new ATOM 0 HB2 ARG A 34 -1.982 3.457 -3.923 1.00 62.14 H new ATOM 0 HB3 ARG A 34 -3.136 2.436 -3.088 1.00 62.14 H new ATOM 0 HG2 ARG A 34 -4.217 4.386 -4.099 1.00 20.33 H new ATOM 0 HG3 ARG A 34 -4.417 4.366 -2.358 1.00 20.33 H new ATOM 0 HD2 ARG A 34 -4.003 6.635 -3.222 1.00 64.13 H new ATOM 0 HD3 ARG A 34 -2.775 6.131 -2.078 1.00 64.13 H new ATOM 0 HE ARG A 34 -2.333 6.092 -5.047 1.00 23.25 H new ATOM 0 HH11 ARG A 34 -1.294 6.970 -1.785 1.00 60.54 H new ATOM 0 HH12 ARG A 34 0.318 7.470 -2.308 1.00 60.54 H new ATOM 0 HH21 ARG A 34 -0.197 6.716 -5.687 1.00 71.22 H new ATOM 0 HH22 ARG A 34 0.925 7.329 -4.467 1.00 71.22 H new ATOM 550 N VAL A 35 -3.262 2.734 0.006 1.00 24.23 N ATOM 551 CA VAL A 35 -4.058 2.968 1.207 1.00 51.23 C ATOM 552 C VAL A 35 -3.137 3.253 2.421 1.00 64.11 C ATOM 553 O VAL A 35 -3.509 4.056 3.272 1.00 11.01 O ATOM 554 CB VAL A 35 -5.138 1.867 1.386 1.00 74.52 C ATOM 555 CG1 VAL A 35 -6.184 1.940 0.264 1.00 53.00 C ATOM 556 CG2 VAL A 35 -4.674 0.411 1.393 1.00 44.41 C ATOM 0 H VAL A 35 -3.325 1.789 -0.372 1.00 24.23 H new ATOM 0 HA VAL A 35 -4.648 3.879 1.106 1.00 51.23 H new ATOM 0 HB VAL A 35 -5.515 2.099 2.382 1.00 74.52 H new ATOM 0 HG11 VAL A 35 -6.930 1.159 0.411 1.00 53.00 H new ATOM 0 HG12 VAL A 35 -6.671 2.915 0.283 1.00 53.00 H new ATOM 0 HG13 VAL A 35 -5.695 1.798 -0.700 1.00 53.00 H new ATOM 0 HG21 VAL A 35 -5.535 -0.245 1.526 1.00 44.41 H new ATOM 0 HG22 VAL A 35 -4.185 0.180 0.447 1.00 44.41 H new ATOM 0 HG23 VAL A 35 -3.971 0.257 2.212 1.00 44.41 H new ATOM 566 N HIS A 36 -1.894 2.740 2.463 1.00 52.31 N ATOM 567 CA HIS A 36 -0.905 2.996 3.526 1.00 1.15 C ATOM 568 C HIS A 36 0.179 3.975 3.048 1.00 42.12 C ATOM 569 O HIS A 36 1.368 3.704 3.199 1.00 41.31 O ATOM 570 CB HIS A 36 -0.234 1.693 4.007 1.00 62.20 C ATOM 571 CG HIS A 36 -1.167 0.575 4.366 1.00 22.51 C ATOM 572 ND1 HIS A 36 -1.830 -0.201 3.452 1.00 33.42 N ATOM 573 CD2 HIS A 36 -1.497 0.123 5.616 1.00 25.35 C ATOM 574 CE1 HIS A 36 -2.609 -1.051 4.124 1.00 14.31 C ATOM 575 NE2 HIS A 36 -2.441 -0.888 5.438 1.00 23.15 N ATOM 0 H HIS A 36 -1.540 2.118 1.737 1.00 52.31 H new ATOM 0 HA HIS A 36 -1.449 3.438 4.361 1.00 1.15 H new ATOM 0 HB2 HIS A 36 0.439 1.343 3.225 1.00 62.20 H new ATOM 0 HB3 HIS A 36 0.381 1.922 4.877 1.00 62.20 H new ATOM 0 HD1 HIS A 36 -1.743 -0.140 2.438 1.00 33.42 H new ATOM 0 HD2 HIS A 36 -1.103 0.480 6.556 1.00 25.35 H new ATOM 0 HE1 HIS A 36 -3.278 -1.767 3.670 1.00 14.31 H new ATOM 583 N SER A 37 -0.196 5.101 2.441 1.00 64.20 N ATOM 584 CA SER A 37 0.753 6.074 1.902 1.00 22.55 C ATOM 585 C SER A 37 0.665 7.345 2.750 1.00 3.42 C ATOM 586 O SER A 37 -0.144 8.221 2.428 1.00 51.23 O ATOM 587 CB SER A 37 0.482 6.256 0.411 1.00 41.02 C ATOM 588 OG SER A 37 1.439 7.072 -0.245 1.00 21.45 O ATOM 0 H SER A 37 -1.172 5.365 2.309 1.00 64.20 H new ATOM 0 HA SER A 37 1.789 5.741 1.965 1.00 22.55 H new ATOM 0 HB2 SER A 37 0.462 5.277 -0.068 1.00 41.02 H new ATOM 0 HB3 SER A 37 -0.507 6.695 0.281 1.00 41.02 H new ATOM 0 HG SER A 37 2.299 6.604 -0.280 1.00 21.45 H new ATOM 594 N PRO A 38 1.400 7.433 3.874 1.00 64.30 N ATOM 595 CA PRO A 38 1.271 8.511 4.839 1.00 33.31 C ATOM 596 C PRO A 38 1.764 9.814 4.210 1.00 63.21 C ATOM 597 O PRO A 38 2.964 10.057 4.084 1.00 64.12 O ATOM 598 CB PRO A 38 2.079 8.074 6.068 1.00 53.34 C ATOM 599 CG PRO A 38 3.155 7.158 5.488 1.00 2.34 C ATOM 600 CD PRO A 38 2.467 6.526 4.278 1.00 21.24 C ATOM 0 HA PRO A 38 0.241 8.703 5.141 1.00 33.31 H new ATOM 0 HB2 PRO A 38 2.516 8.929 6.584 1.00 53.34 H new ATOM 0 HB3 PRO A 38 1.455 7.550 6.792 1.00 53.34 H new ATOM 0 HG2 PRO A 38 4.045 7.717 5.198 1.00 2.34 H new ATOM 0 HG3 PRO A 38 3.473 6.405 6.209 1.00 2.34 H new ATOM 0 HD2 PRO A 38 3.177 6.378 3.464 1.00 21.24 H new ATOM 0 HD3 PRO A 38 2.064 5.545 4.532 1.00 21.24 H new ATOM 608 N SER A 39 0.826 10.659 3.784 1.00 61.42 N ATOM 609 CA SER A 39 1.113 12.014 3.355 1.00 24.51 C ATOM 610 C SER A 39 1.791 12.703 4.543 1.00 11.33 C ATOM 611 O SER A 39 1.260 12.668 5.658 1.00 43.20 O ATOM 612 CB SER A 39 -0.179 12.731 2.910 1.00 21.22 C ATOM 613 OG SER A 39 -1.328 11.882 2.832 1.00 73.10 O ATOM 0 H SER A 39 -0.162 10.413 3.729 1.00 61.42 H new ATOM 0 HA SER A 39 1.770 12.036 2.486 1.00 24.51 H new ATOM 0 HB2 SER A 39 -0.388 13.543 3.607 1.00 21.22 H new ATOM 0 HB3 SER A 39 -0.010 13.185 1.933 1.00 21.22 H new ATOM 0 HG SER A 39 -2.104 12.408 2.546 1.00 73.10 H new ATOM 736 N VAL A 49 -9.710 8.577 7.592 1.00 63.10 N ATOM 737 CA VAL A 49 -10.252 8.705 6.251 1.00 12.42 C ATOM 738 C VAL A 49 -9.757 7.487 5.500 1.00 11.24 C ATOM 739 O VAL A 49 -8.551 7.263 5.402 1.00 62.44 O ATOM 740 CB VAL A 49 -9.777 9.983 5.547 1.00 14.43 C ATOM 741 CG1 VAL A 49 -10.314 10.080 4.110 1.00 41.00 C ATOM 742 CG2 VAL A 49 -10.127 11.268 6.304 1.00 32.42 C ATOM 0 HA VAL A 49 -11.340 8.769 6.285 1.00 12.42 H new ATOM 0 HB VAL A 49 -8.691 9.898 5.525 1.00 14.43 H new ATOM 0 HG11 VAL A 49 -9.954 10.999 3.648 1.00 41.00 H new ATOM 0 HG12 VAL A 49 -9.966 9.223 3.533 1.00 41.00 H new ATOM 0 HG13 VAL A 49 -11.404 10.086 4.128 1.00 41.00 H new ATOM 0 HG21 VAL A 49 -9.760 12.130 5.747 1.00 32.42 H new ATOM 0 HG22 VAL A 49 -11.209 11.342 6.415 1.00 32.42 H new ATOM 0 HG23 VAL A 49 -9.661 11.248 7.289 1.00 32.42 H new ATOM 752 N LEU A 50 -10.699 6.753 4.942 1.00 31.53 N ATOM 753 CA LEU A 50 -10.528 5.574 4.116 1.00 0.35 C ATOM 754 C LEU A 50 -10.388 5.999 2.671 1.00 12.21 C ATOM 755 O LEU A 50 -10.823 7.075 2.252 1.00 55.33 O ATOM 756 CB LEU A 50 -11.787 4.704 4.337 1.00 74.42 C ATOM 757 CG LEU A 50 -11.938 3.419 3.504 1.00 62.44 C ATOM 758 CD1 LEU A 50 -10.865 2.380 3.845 1.00 11.42 C ATOM 759 CD2 LEU A 50 -13.320 2.808 3.727 1.00 14.15 C ATOM 0 H LEU A 50 -11.685 6.985 5.065 1.00 31.53 H new ATOM 0 HA LEU A 50 -9.633 5.008 4.374 1.00 0.35 H new ATOM 0 HB2 LEU A 50 -11.817 4.424 5.390 1.00 74.42 H new ATOM 0 HB3 LEU A 50 -12.660 5.328 4.148 1.00 74.42 H new ATOM 0 HG LEU A 50 -11.816 3.699 2.458 1.00 62.44 H new ATOM 0 HD11 LEU A 50 -11.012 1.491 3.232 1.00 11.42 H new ATOM 0 HD12 LEU A 50 -9.878 2.798 3.647 1.00 11.42 H new ATOM 0 HD13 LEU A 50 -10.941 2.111 4.899 1.00 11.42 H new ATOM 0 HD21 LEU A 50 -13.416 1.899 3.133 1.00 14.15 H new ATOM 0 HD22 LEU A 50 -13.445 2.566 4.783 1.00 14.15 H new ATOM 0 HD23 LEU A 50 -14.086 3.522 3.425 1.00 14.15 H new ATOM 771 N GLN A 51 -9.767 5.125 1.892 1.00 1.24 N ATOM 772 CA GLN A 51 -9.545 5.303 0.483 1.00 14.41 C ATOM 773 C GLN A 51 -10.151 4.051 -0.146 1.00 44.40 C ATOM 774 O GLN A 51 -9.677 2.941 0.117 1.00 35.35 O ATOM 775 CB GLN A 51 -8.061 5.514 0.147 1.00 12.23 C ATOM 776 CG GLN A 51 -7.267 6.284 1.214 1.00 61.34 C ATOM 777 CD GLN A 51 -7.001 5.531 2.512 1.00 72.10 C ATOM 778 OE1 GLN A 51 -7.123 4.317 2.641 1.00 11.03 O ATOM 779 NE2 GLN A 51 -6.724 6.293 3.536 1.00 41.24 N ATOM 0 H GLN A 51 -9.394 4.244 2.246 1.00 1.24 H new ATOM 0 HA GLN A 51 -10.010 6.208 0.091 1.00 14.41 H new ATOM 0 HB2 GLN A 51 -7.594 4.541 -0.003 1.00 12.23 H new ATOM 0 HB3 GLN A 51 -7.989 6.051 -0.799 1.00 12.23 H new ATOM 0 HG2 GLN A 51 -6.310 6.580 0.785 1.00 61.34 H new ATOM 0 HG3 GLN A 51 -7.807 7.200 1.451 1.00 61.34 H new ATOM 0 HE21 GLN A 51 -6.626 7.300 3.410 1.00 41.24 H new ATOM 0 HE22 GLN A 51 -6.606 5.881 4.461 1.00 41.24 H new ATOM 788 N TYR A 52 -11.256 4.187 -0.872 1.00 11.01 N ATOM 789 CA TYR A 52 -11.920 3.091 -1.577 1.00 60.53 C ATOM 790 C TYR A 52 -11.853 3.368 -3.073 1.00 12.45 C ATOM 791 O TYR A 52 -11.230 4.347 -3.488 1.00 40.10 O ATOM 792 CB TYR A 52 -13.367 2.931 -1.097 1.00 40.14 C ATOM 793 CG TYR A 52 -14.275 4.091 -1.472 1.00 40.03 C ATOM 794 CD1 TYR A 52 -14.345 5.227 -0.641 1.00 74.14 C ATOM 795 CD2 TYR A 52 -15.027 4.053 -2.664 1.00 2.15 C ATOM 796 CE1 TYR A 52 -15.158 6.316 -1.002 1.00 2.34 C ATOM 797 CE2 TYR A 52 -15.814 5.152 -3.042 1.00 1.42 C ATOM 798 CZ TYR A 52 -15.867 6.300 -2.224 1.00 0.43 C ATOM 799 OH TYR A 52 -16.648 7.359 -2.578 1.00 13.02 O ATOM 0 H TYR A 52 -11.728 5.084 -0.991 1.00 11.01 H new ATOM 0 HA TYR A 52 -11.413 2.150 -1.364 1.00 60.53 H new ATOM 0 HB2 TYR A 52 -13.778 2.012 -1.515 1.00 40.14 H new ATOM 0 HB3 TYR A 52 -13.369 2.817 -0.013 1.00 40.14 H new ATOM 0 HD1 TYR A 52 -13.773 5.261 0.275 1.00 74.14 H new ATOM 0 HD2 TYR A 52 -14.997 3.173 -3.290 1.00 2.15 H new ATOM 0 HE1 TYR A 52 -15.241 7.168 -0.343 1.00 2.34 H new ATOM 0 HE2 TYR A 52 -16.380 5.119 -3.961 1.00 1.42 H new ATOM 0 HH TYR A 52 -17.063 7.183 -3.448 1.00 13.02 H new ATOM 809 N GLY A 53 -12.489 2.519 -3.874 1.00 3.14 N ATOM 810 CA GLY A 53 -12.553 2.738 -5.317 1.00 44.23 C ATOM 811 C GLY A 53 -11.164 2.674 -5.968 1.00 22.13 C ATOM 812 O GLY A 53 -10.885 3.446 -6.887 1.00 54.32 O ATOM 0 H GLY A 53 -12.966 1.677 -3.552 1.00 3.14 H new ATOM 0 HA2 GLY A 53 -13.201 1.987 -5.770 1.00 44.23 H new ATOM 0 HA3 GLY A 53 -13.003 3.710 -5.517 1.00 44.23 H new ATOM 816 N LYS A 54 -10.260 1.819 -5.463 1.00 55.24 N ATOM 817 CA LYS A 54 -8.862 1.744 -5.893 1.00 2.14 C ATOM 818 C LYS A 54 -8.540 0.478 -6.696 1.00 22.31 C ATOM 819 O LYS A 54 -7.383 0.308 -7.078 1.00 61.22 O ATOM 820 CB LYS A 54 -7.901 1.884 -4.698 1.00 1.22 C ATOM 821 CG LYS A 54 -8.093 3.145 -3.841 1.00 54.04 C ATOM 822 CD LYS A 54 -8.220 4.473 -4.610 1.00 72.31 C ATOM 823 CE LYS A 54 -6.910 5.094 -5.093 1.00 72.13 C ATOM 824 NZ LYS A 54 -6.238 4.312 -6.146 1.00 3.23 N ATOM 0 H LYS A 54 -10.489 1.148 -4.729 1.00 55.24 H new ATOM 0 HA LYS A 54 -8.713 2.588 -6.567 1.00 2.14 H new ATOM 0 HB2 LYS A 54 -8.015 1.009 -4.058 1.00 1.22 H new ATOM 0 HB3 LYS A 54 -6.878 1.873 -5.073 1.00 1.22 H new ATOM 0 HG2 LYS A 54 -8.988 3.014 -3.233 1.00 54.04 H new ATOM 0 HG3 LYS A 54 -7.250 3.225 -3.155 1.00 54.04 H new ATOM 0 HD2 LYS A 54 -8.862 4.309 -5.475 1.00 72.31 H new ATOM 0 HD3 LYS A 54 -8.727 5.194 -3.969 1.00 72.31 H new ATOM 0 HE2 LYS A 54 -7.110 6.097 -5.469 1.00 72.13 H new ATOM 0 HE3 LYS A 54 -6.234 5.201 -4.245 1.00 72.13 H new ATOM 0 HZ1 LYS A 54 -5.308 3.996 -5.804 1.00 3.23 H new ATOM 0 HZ2 LYS A 54 -6.818 3.483 -6.387 1.00 3.23 H new ATOM 0 HZ3 LYS A 54 -6.113 4.904 -6.992 1.00 3.23 H new ATOM 838 N LEU A 55 -9.505 -0.418 -6.941 1.00 1.33 N ATOM 839 CA LEU A 55 -9.224 -1.774 -7.419 1.00 0.04 C ATOM 840 C LEU A 55 -8.506 -1.797 -8.770 1.00 3.24 C ATOM 841 O LEU A 55 -7.708 -2.703 -9.013 1.00 62.50 O ATOM 842 CB LEU A 55 -10.530 -2.590 -7.497 1.00 55.01 C ATOM 843 CG LEU A 55 -10.335 -4.120 -7.581 1.00 60.14 C ATOM 844 CD1 LEU A 55 -9.528 -4.691 -6.400 1.00 24.34 C ATOM 845 CD2 LEU A 55 -11.714 -4.791 -7.608 1.00 61.43 C ATOM 0 H LEU A 55 -10.498 -0.222 -6.813 1.00 1.33 H new ATOM 0 HA LEU A 55 -8.546 -2.228 -6.696 1.00 0.04 H new ATOM 0 HB2 LEU A 55 -11.136 -2.363 -6.620 1.00 55.01 H new ATOM 0 HB3 LEU A 55 -11.095 -2.262 -8.369 1.00 55.01 H new ATOM 0 HG LEU A 55 -9.768 -4.326 -8.489 1.00 60.14 H new ATOM 0 HD11 LEU A 55 -9.426 -5.770 -6.517 1.00 24.34 H new ATOM 0 HD12 LEU A 55 -8.539 -4.233 -6.380 1.00 24.34 H new ATOM 0 HD13 LEU A 55 -10.047 -4.475 -5.466 1.00 24.34 H new ATOM 0 HD21 LEU A 55 -11.591 -5.872 -7.667 1.00 61.43 H new ATOM 0 HD22 LEU A 55 -12.260 -4.537 -6.699 1.00 61.43 H new ATOM 0 HD23 LEU A 55 -12.272 -4.441 -8.476 1.00 61.43 H new ATOM 857 N ASN A 56 -8.782 -0.821 -9.640 1.00 14.41 N ATOM 858 CA ASN A 56 -8.419 -0.843 -11.063 1.00 42.33 C ATOM 859 C ASN A 56 -7.048 -0.205 -11.327 1.00 75.24 C ATOM 860 O ASN A 56 -6.670 0.003 -12.484 1.00 61.11 O ATOM 861 CB ASN A 56 -9.489 -0.151 -11.938 1.00 72.30 C ATOM 862 CG ASN A 56 -10.898 -0.251 -11.376 1.00 42.33 C ATOM 863 OD1 ASN A 56 -11.321 0.676 -10.699 1.00 35.13 O ATOM 864 ND2 ASN A 56 -11.605 -1.358 -11.550 1.00 3.12 N ATOM 0 H ASN A 56 -9.277 0.029 -9.369 1.00 14.41 H new ATOM 0 HA ASN A 56 -8.364 -1.896 -11.340 1.00 42.33 H new ATOM 0 HB2 ASN A 56 -9.227 0.901 -12.052 1.00 72.30 H new ATOM 0 HB3 ASN A 56 -9.473 -0.594 -12.934 1.00 72.30 H new ATOM 0 HD21 ASN A 56 -12.523 -1.451 -11.115 1.00 3.12 H new ATOM 0 HD22 ASN A 56 -11.231 -2.118 -12.119 1.00 3.12 H new ATOM 871 N VAL A 57 -6.321 0.157 -10.271 1.00 22.14 N ATOM 872 CA VAL A 57 -4.987 0.736 -10.330 1.00 15.04 C ATOM 873 C VAL A 57 -3.999 -0.182 -11.044 1.00 24.41 C ATOM 874 O VAL A 57 -4.157 -1.408 -11.114 1.00 41.34 O ATOM 875 CB VAL A 57 -4.534 1.060 -8.889 1.00 33.12 C ATOM 876 CG1 VAL A 57 -4.427 -0.206 -8.021 1.00 12.21 C ATOM 877 CG2 VAL A 57 -3.181 1.788 -8.859 1.00 0.15 C ATOM 0 H VAL A 57 -6.662 0.049 -9.316 1.00 22.14 H new ATOM 0 HA VAL A 57 -5.015 1.654 -10.917 1.00 15.04 H new ATOM 0 HB VAL A 57 -5.304 1.715 -8.480 1.00 33.12 H new ATOM 0 HG11 VAL A 57 -4.106 0.068 -7.016 1.00 12.21 H new ATOM 0 HG12 VAL A 57 -5.400 -0.696 -7.970 1.00 12.21 H new ATOM 0 HG13 VAL A 57 -3.700 -0.888 -8.461 1.00 12.21 H new ATOM 0 HG21 VAL A 57 -2.902 1.996 -7.826 1.00 0.15 H new ATOM 0 HG22 VAL A 57 -2.419 1.160 -9.321 1.00 0.15 H new ATOM 0 HG23 VAL A 57 -3.260 2.726 -9.409 1.00 0.15 H new ATOM 887 N GLY A 58 -2.891 0.423 -11.457 1.00 13.43 N ATOM 888 CA GLY A 58 -1.663 -0.261 -11.735 1.00 20.55 C ATOM 889 C GLY A 58 -0.445 0.576 -11.374 1.00 71.44 C ATOM 890 O GLY A 58 -0.546 1.633 -10.746 1.00 43.02 O ATOM 0 H GLY A 58 -2.835 1.430 -11.607 1.00 13.43 H new ATOM 0 HA2 GLY A 58 -1.636 -1.197 -11.178 1.00 20.55 H new ATOM 0 HA3 GLY A 58 -1.624 -0.519 -12.793 1.00 20.55 H new ATOM 894 N LEU A 59 0.732 0.069 -11.735 1.00 15.41 N ATOM 895 CA LEU A 59 2.010 0.617 -11.324 1.00 24.44 C ATOM 896 C LEU A 59 2.931 0.707 -12.515 1.00 61.14 C ATOM 897 O LEU A 59 2.792 -0.043 -13.477 1.00 52.22 O ATOM 898 CB LEU A 59 2.619 -0.261 -10.223 1.00 40.10 C ATOM 899 CG LEU A 59 3.231 0.604 -9.119 1.00 62.34 C ATOM 900 CD1 LEU A 59 2.916 0.073 -7.747 1.00 43.32 C ATOM 901 CD2 LEU A 59 4.744 0.728 -9.259 1.00 74.23 C ATOM 0 H LEU A 59 0.819 -0.752 -12.334 1.00 15.41 H new ATOM 0 HA LEU A 59 1.868 1.621 -10.923 1.00 24.44 H new ATOM 0 HB2 LEU A 59 1.851 -0.909 -9.801 1.00 40.10 H new ATOM 0 HB3 LEU A 59 3.384 -0.910 -10.650 1.00 40.10 H new ATOM 0 HG LEU A 59 2.780 1.589 -9.235 1.00 62.34 H new ATOM 0 HD11 LEU A 59 3.370 0.718 -6.994 1.00 43.32 H new ATOM 0 HD12 LEU A 59 1.836 0.053 -7.604 1.00 43.32 H new ATOM 0 HD13 LEU A 59 3.314 -0.937 -7.648 1.00 43.32 H new ATOM 0 HD21 LEU A 59 5.134 1.351 -8.454 1.00 74.23 H new ATOM 0 HD22 LEU A 59 5.197 -0.262 -9.204 1.00 74.23 H new ATOM 0 HD23 LEU A 59 4.984 1.184 -10.219 1.00 74.23 H new ATOM 913 N VAL A 60 3.861 1.641 -12.429 1.00 21.34 N ATOM 914 CA VAL A 60 4.489 2.268 -13.575 1.00 43.01 C ATOM 915 C VAL A 60 5.996 2.353 -13.385 1.00 64.21 C ATOM 916 O VAL A 60 6.740 2.227 -14.358 1.00 60.32 O ATOM 917 CB VAL A 60 3.855 3.651 -13.828 1.00 35.55 C ATOM 918 CG1 VAL A 60 2.639 3.514 -14.748 1.00 62.13 C ATOM 919 CG2 VAL A 60 3.416 4.363 -12.543 1.00 42.44 C ATOM 0 H VAL A 60 4.208 1.992 -11.537 1.00 21.34 H new ATOM 0 HA VAL A 60 4.317 1.656 -14.460 1.00 43.01 H new ATOM 0 HB VAL A 60 4.632 4.257 -14.294 1.00 35.55 H new ATOM 0 HG11 VAL A 60 2.200 4.497 -14.919 1.00 62.13 H new ATOM 0 HG12 VAL A 60 2.950 3.084 -15.700 1.00 62.13 H new ATOM 0 HG13 VAL A 60 1.900 2.863 -14.280 1.00 62.13 H new ATOM 0 HG21 VAL A 60 2.979 5.330 -12.794 1.00 42.44 H new ATOM 0 HG22 VAL A 60 2.676 3.754 -12.024 1.00 42.44 H new ATOM 0 HG23 VAL A 60 4.281 4.513 -11.896 1.00 42.44 H new ATOM 929 N GLY A 61 6.438 2.494 -12.137 1.00 40.22 N ATOM 930 CA GLY A 61 7.844 2.476 -11.770 1.00 3.33 C ATOM 931 C GLY A 61 8.001 2.554 -10.257 1.00 0.22 C ATOM 932 O GLY A 61 7.060 2.913 -9.553 1.00 72.10 O ATOM 0 H GLY A 61 5.814 2.626 -11.341 1.00 40.22 H new ATOM 0 HA2 GLY A 61 8.312 1.565 -12.144 1.00 3.33 H new ATOM 0 HA3 GLY A 61 8.359 3.314 -12.239 1.00 3.33 H new ATOM 936 N VAL A 62 9.179 2.213 -9.750 1.00 23.35 N ATOM 937 CA VAL A 62 9.593 2.431 -8.370 1.00 53.12 C ATOM 938 C VAL A 62 11.109 2.617 -8.426 1.00 12.43 C ATOM 939 O VAL A 62 11.789 1.868 -9.143 1.00 22.35 O ATOM 940 CB VAL A 62 9.198 1.229 -7.480 1.00 33.04 C ATOM 941 CG1 VAL A 62 9.732 1.379 -6.060 1.00 40.31 C ATOM 942 CG2 VAL A 62 7.687 0.977 -7.384 1.00 33.13 C ATOM 0 H VAL A 62 9.900 1.759 -10.311 1.00 23.35 H new ATOM 0 HA VAL A 62 9.105 3.300 -7.929 1.00 53.12 H new ATOM 0 HB VAL A 62 9.653 0.375 -7.983 1.00 33.04 H new ATOM 0 HG11 VAL A 62 9.434 0.515 -5.466 1.00 40.31 H new ATOM 0 HG12 VAL A 62 10.820 1.444 -6.085 1.00 40.31 H new ATOM 0 HG13 VAL A 62 9.325 2.285 -5.612 1.00 40.31 H new ATOM 0 HG21 VAL A 62 7.502 0.117 -6.741 1.00 33.13 H new ATOM 0 HG22 VAL A 62 7.197 1.856 -6.964 1.00 33.13 H new ATOM 0 HG23 VAL A 62 7.287 0.779 -8.379 1.00 33.13 H new ATOM 952 N GLU A 63 11.655 3.575 -7.678 1.00 61.34 N ATOM 953 CA GLU A 63 13.090 3.834 -7.665 1.00 3.12 C ATOM 954 C GLU A 63 13.570 4.440 -6.337 1.00 64.14 C ATOM 955 O GLU A 63 12.800 5.126 -5.667 1.00 63.21 O ATOM 956 CB GLU A 63 13.454 4.739 -8.848 1.00 40.50 C ATOM 957 CG GLU A 63 12.917 6.169 -8.716 1.00 34.43 C ATOM 958 CD GLU A 63 14.011 7.212 -8.485 1.00 12.15 C ATOM 959 OE1 GLU A 63 14.815 7.404 -9.430 1.00 13.33 O ATOM 960 OE2 GLU A 63 14.061 7.882 -7.435 1.00 74.40 O ATOM 0 H GLU A 63 11.116 4.189 -7.068 1.00 61.34 H new ATOM 0 HA GLU A 63 13.604 2.878 -7.764 1.00 3.12 H new ATOM 0 HB2 GLU A 63 14.539 4.775 -8.946 1.00 40.50 H new ATOM 0 HB3 GLU A 63 13.065 4.297 -9.765 1.00 40.50 H new ATOM 0 HG2 GLU A 63 12.366 6.427 -9.620 1.00 34.43 H new ATOM 0 HG3 GLU A 63 12.208 6.208 -7.889 1.00 34.43 H new ATOM 967 N PRO A 64 14.835 4.194 -5.956 1.00 31.43 N ATOM 968 CA PRO A 64 15.430 4.607 -4.690 1.00 32.31 C ATOM 969 C PRO A 64 15.495 6.130 -4.563 1.00 3.53 C ATOM 970 O PRO A 64 16.349 6.771 -5.183 1.00 35.32 O ATOM 971 CB PRO A 64 16.821 3.964 -4.663 1.00 60.01 C ATOM 972 CG PRO A 64 17.143 3.653 -6.120 1.00 0.21 C ATOM 973 CD PRO A 64 15.767 3.363 -6.697 1.00 51.40 C ATOM 0 HA PRO A 64 14.830 4.283 -3.840 1.00 32.31 H new ATOM 0 HB2 PRO A 64 17.559 4.640 -4.232 1.00 60.01 H new ATOM 0 HB3 PRO A 64 16.825 3.058 -4.056 1.00 60.01 H new ATOM 0 HG2 PRO A 64 17.625 4.494 -6.619 1.00 0.21 H new ATOM 0 HG3 PRO A 64 17.813 2.799 -6.216 1.00 0.21 H new ATOM 0 HD2 PRO A 64 15.734 3.595 -7.762 1.00 51.40 H new ATOM 0 HD3 PRO A 64 15.516 2.308 -6.593 1.00 51.40 H new ATOM 981 N ALA A 65 14.642 6.716 -3.716 1.00 41.14 N ATOM 982 CA ALA A 65 14.554 8.159 -3.514 1.00 73.32 C ATOM 983 C ALA A 65 15.599 8.638 -2.495 1.00 13.55 C ATOM 984 O ALA A 65 15.321 9.504 -1.656 1.00 24.24 O ATOM 985 CB ALA A 65 13.119 8.543 -3.128 1.00 11.12 C ATOM 0 H ALA A 65 13.983 6.188 -3.143 1.00 41.14 H new ATOM 0 HA ALA A 65 14.788 8.672 -4.447 1.00 73.32 H new ATOM 0 HB1 ALA A 65 13.059 9.621 -2.978 1.00 11.12 H new ATOM 0 HB2 ALA A 65 12.437 8.249 -3.925 1.00 11.12 H new ATOM 0 HB3 ALA A 65 12.841 8.033 -2.206 1.00 11.12 H new ATOM 991 N GLY A 66 16.806 8.080 -2.541 1.00 34.12 N ATOM 992 CA GLY A 66 17.953 8.482 -1.751 1.00 23.12 C ATOM 993 C GLY A 66 18.649 7.251 -1.198 1.00 55.44 C ATOM 994 O GLY A 66 19.383 6.579 -1.924 1.00 53.33 O ATOM 0 H GLY A 66 17.015 7.298 -3.162 1.00 34.12 H new ATOM 0 HA2 GLY A 66 18.645 9.059 -2.364 1.00 23.12 H new ATOM 0 HA3 GLY A 66 17.635 9.130 -0.934 1.00 23.12 H new ATOM 998 N GLN A 67 18.443 6.979 0.091 1.00 24.41 N ATOM 999 CA GLN A 67 19.027 5.838 0.789 1.00 2.34 C ATOM 1000 C GLN A 67 18.174 5.345 1.971 1.00 53.10 C ATOM 1001 O GLN A 67 18.537 4.385 2.645 1.00 44.53 O ATOM 1002 CB GLN A 67 20.488 6.171 1.109 1.00 4.54 C ATOM 1003 CG GLN A 67 20.756 6.932 2.390 1.00 55.31 C ATOM 1004 CD GLN A 67 22.243 7.102 2.662 1.00 3.14 C ATOM 1005 OE1 GLN A 67 22.879 6.263 3.291 1.00 1.31 O ATOM 1006 NE2 GLN A 67 22.858 8.158 2.162 1.00 14.34 N ATOM 0 H GLN A 67 17.854 7.558 0.689 1.00 24.41 H new ATOM 0 HA GLN A 67 19.028 4.960 0.144 1.00 2.34 H new ATOM 0 HB2 GLN A 67 21.048 5.236 1.147 1.00 4.54 H new ATOM 0 HB3 GLN A 67 20.892 6.751 0.280 1.00 4.54 H new ATOM 0 HG2 GLN A 67 20.285 7.913 2.332 1.00 55.31 H new ATOM 0 HG3 GLN A 67 20.294 6.406 3.226 1.00 55.31 H new ATOM 0 HE21 GLN A 67 22.329 8.856 1.639 1.00 14.34 H new ATOM 0 HE22 GLN A 67 23.862 8.276 2.299 1.00 14.34 H new ATOM 1015 N TYR A 68 17.048 6.008 2.236 1.00 13.35 N ATOM 1016 CA TYR A 68 16.202 5.844 3.429 1.00 42.32 C ATOM 1017 C TYR A 68 14.714 5.737 3.107 1.00 34.44 C ATOM 1018 O TYR A 68 13.966 5.196 3.920 1.00 34.43 O ATOM 1019 CB TYR A 68 16.419 6.998 4.428 1.00 12.53 C ATOM 1020 CG TYR A 68 16.588 8.373 3.805 1.00 53.34 C ATOM 1021 CD1 TYR A 68 17.830 8.678 3.238 1.00 55.22 C ATOM 1022 CD2 TYR A 68 15.542 9.311 3.723 1.00 24.25 C ATOM 1023 CE1 TYR A 68 18.048 9.864 2.528 1.00 22.11 C ATOM 1024 CE2 TYR A 68 15.770 10.551 3.092 1.00 73.13 C ATOM 1025 CZ TYR A 68 17.026 10.837 2.498 1.00 14.42 C ATOM 1026 OH TYR A 68 17.255 12.040 1.912 1.00 74.22 O ATOM 0 H TYR A 68 16.679 6.710 1.595 1.00 13.35 H new ATOM 0 HA TYR A 68 16.512 4.899 3.876 1.00 42.32 H new ATOM 0 HB2 TYR A 68 15.571 7.029 5.112 1.00 12.53 H new ATOM 0 HB3 TYR A 68 17.303 6.777 5.026 1.00 12.53 H new ATOM 0 HD1 TYR A 68 18.644 7.978 3.352 1.00 55.22 H new ATOM 0 HD2 TYR A 68 14.572 9.083 4.140 1.00 24.25 H new ATOM 0 HE1 TYR A 68 18.982 10.032 2.012 1.00 22.11 H new ATOM 0 HE2 TYR A 68 14.982 11.289 3.061 1.00 73.13 H new ATOM 0 HH TYR A 68 16.449 12.594 1.976 1.00 74.22 H new ATOM 1036 N ALA A 69 14.262 6.248 1.965 1.00 53.20 N ATOM 1037 CA ALA A 69 12.872 6.239 1.550 1.00 51.10 C ATOM 1038 C ALA A 69 12.817 5.975 0.053 1.00 4.13 C ATOM 1039 O ALA A 69 13.829 6.071 -0.644 1.00 40.30 O ATOM 1040 CB ALA A 69 12.208 7.572 1.919 1.00 12.44 C ATOM 0 H ALA A 69 14.878 6.693 1.284 1.00 53.20 H new ATOM 0 HA ALA A 69 12.322 5.451 2.064 1.00 51.10 H new ATOM 0 HB1 ALA A 69 11.164 7.558 1.604 1.00 12.44 H new ATOM 0 HB2 ALA A 69 12.260 7.718 2.998 1.00 12.44 H new ATOM 0 HB3 ALA A 69 12.727 8.388 1.417 1.00 12.44 H new ATOM 1046 N LEU A 70 11.627 5.633 -0.434 1.00 23.24 N ATOM 1047 CA LEU A 70 11.457 5.052 -1.748 1.00 14.35 C ATOM 1048 C LEU A 70 10.433 5.854 -2.521 1.00 43.51 C ATOM 1049 O LEU A 70 9.346 6.114 -2.011 1.00 33.35 O ATOM 1050 CB LEU A 70 11.023 3.587 -1.600 1.00 43.22 C ATOM 1051 CG LEU A 70 10.870 2.850 -2.940 1.00 41.23 C ATOM 1052 CD1 LEU A 70 12.184 2.827 -3.715 1.00 32.44 C ATOM 1053 CD2 LEU A 70 10.417 1.409 -2.698 1.00 74.42 C ATOM 0 H LEU A 70 10.754 5.755 0.080 1.00 23.24 H new ATOM 0 HA LEU A 70 12.397 5.077 -2.299 1.00 14.35 H new ATOM 0 HB2 LEU A 70 11.755 3.061 -0.987 1.00 43.22 H new ATOM 0 HB3 LEU A 70 10.074 3.551 -1.065 1.00 43.22 H new ATOM 0 HG LEU A 70 10.124 3.386 -3.526 1.00 41.23 H new ATOM 0 HD11 LEU A 70 12.041 2.298 -4.658 1.00 32.44 H new ATOM 0 HD12 LEU A 70 12.505 3.849 -3.917 1.00 32.44 H new ATOM 0 HD13 LEU A 70 12.946 2.317 -3.125 1.00 32.44 H new ATOM 0 HD21 LEU A 70 10.312 0.895 -3.654 1.00 74.42 H new ATOM 0 HD22 LEU A 70 11.158 0.892 -2.088 1.00 74.42 H new ATOM 0 HD23 LEU A 70 9.458 1.411 -2.180 1.00 74.42 H new ATOM 1065 N LYS A 71 10.787 6.225 -3.748 1.00 12.42 N ATOM 1066 CA LYS A 71 9.906 6.885 -4.687 1.00 54.20 C ATOM 1067 C LYS A 71 9.070 5.778 -5.313 1.00 13.52 C ATOM 1068 O LYS A 71 9.538 5.053 -6.195 1.00 63.20 O ATOM 1069 CB LYS A 71 10.762 7.653 -5.712 1.00 11.34 C ATOM 1070 CG LYS A 71 10.575 9.177 -5.684 1.00 22.14 C ATOM 1071 CD LYS A 71 11.763 9.838 -6.394 1.00 54.51 C ATOM 1072 CE LYS A 71 11.727 11.369 -6.304 1.00 75.21 C ATOM 1073 NZ LYS A 71 10.903 11.992 -7.365 1.00 63.42 N ATOM 0 H LYS A 71 11.723 6.067 -4.120 1.00 12.42 H new ATOM 0 HA LYS A 71 9.245 7.620 -4.228 1.00 54.20 H new ATOM 0 HB2 LYS A 71 11.813 7.425 -5.532 1.00 11.34 H new ATOM 0 HB3 LYS A 71 10.523 7.289 -6.711 1.00 11.34 H new ATOM 0 HG2 LYS A 71 9.642 9.451 -6.176 1.00 22.14 H new ATOM 0 HG3 LYS A 71 10.508 9.529 -4.655 1.00 22.14 H new ATOM 0 HD2 LYS A 71 12.692 9.474 -5.955 1.00 54.51 H new ATOM 0 HD3 LYS A 71 11.767 9.539 -7.442 1.00 54.51 H new ATOM 0 HE2 LYS A 71 11.336 11.661 -5.329 1.00 75.21 H new ATOM 0 HE3 LYS A 71 12.744 11.755 -6.368 1.00 75.21 H new ATOM 0 HZ1 LYS A 71 10.917 13.026 -7.253 1.00 63.42 H new ATOM 0 HZ2 LYS A 71 11.289 11.740 -8.297 1.00 63.42 H new ATOM 0 HZ3 LYS A 71 9.924 11.649 -7.291 1.00 63.42 H new ATOM 1087 N LEU A 72 7.855 5.580 -4.811 1.00 53.43 N ATOM 1088 CA LEU A 72 6.864 4.822 -5.552 1.00 34.21 C ATOM 1089 C LEU A 72 6.399 5.685 -6.734 1.00 31.12 C ATOM 1090 O LEU A 72 6.366 6.911 -6.633 1.00 11.04 O ATOM 1091 CB LEU A 72 5.691 4.439 -4.644 1.00 4.43 C ATOM 1092 CG LEU A 72 5.906 3.216 -3.726 1.00 55.34 C ATOM 1093 CD1 LEU A 72 6.631 2.004 -4.301 1.00 42.14 C ATOM 1094 CD2 LEU A 72 6.536 3.527 -2.377 1.00 71.12 C ATOM 0 H LEU A 72 7.540 5.930 -3.906 1.00 53.43 H new ATOM 0 HA LEU A 72 7.294 3.892 -5.924 1.00 34.21 H new ATOM 0 HB2 LEU A 72 5.448 5.298 -4.018 1.00 4.43 H new ATOM 0 HB3 LEU A 72 4.821 4.246 -5.272 1.00 4.43 H new ATOM 0 HG LEU A 72 4.860 2.935 -3.608 1.00 55.34 H new ATOM 0 HD11 LEU A 72 6.705 1.229 -3.538 1.00 42.14 H new ATOM 0 HD12 LEU A 72 6.075 1.620 -5.156 1.00 42.14 H new ATOM 0 HD13 LEU A 72 7.632 2.296 -4.620 1.00 42.14 H new ATOM 0 HD21 LEU A 72 6.646 2.605 -1.806 1.00 71.12 H new ATOM 0 HD22 LEU A 72 7.516 3.979 -2.529 1.00 71.12 H new ATOM 0 HD23 LEU A 72 5.898 4.220 -1.829 1.00 71.12 H new ATOM 1106 N SER A 73 5.967 5.059 -7.831 1.00 42.32 N ATOM 1107 CA SER A 73 5.313 5.737 -8.946 1.00 15.45 C ATOM 1108 C SER A 73 4.117 4.874 -9.301 1.00 21.43 C ATOM 1109 O SER A 73 4.273 3.741 -9.770 1.00 15.21 O ATOM 1110 CB SER A 73 6.253 5.933 -10.143 1.00 54.12 C ATOM 1111 OG SER A 73 7.463 6.550 -9.733 1.00 13.05 O ATOM 0 H SER A 73 6.064 4.053 -7.969 1.00 42.32 H new ATOM 0 HA SER A 73 5.010 6.746 -8.667 1.00 15.45 H new ATOM 0 HB2 SER A 73 6.468 4.969 -10.605 1.00 54.12 H new ATOM 0 HB3 SER A 73 5.764 6.547 -10.900 1.00 54.12 H new ATOM 0 HG SER A 73 8.050 6.666 -10.509 1.00 13.05 H new ATOM 1117 N PHE A 74 2.920 5.335 -8.955 1.00 12.32 N ATOM 1118 CA PHE A 74 1.697 4.586 -9.191 1.00 64.43 C ATOM 1119 C PHE A 74 1.026 5.226 -10.384 1.00 22.33 C ATOM 1120 O PHE A 74 1.119 6.441 -10.566 1.00 52.30 O ATOM 1121 CB PHE A 74 0.800 4.592 -7.947 1.00 62.30 C ATOM 1122 CG PHE A 74 1.253 3.706 -6.796 1.00 40.24 C ATOM 1123 CD1 PHE A 74 2.588 3.273 -6.660 1.00 52.34 C ATOM 1124 CD2 PHE A 74 0.318 3.303 -5.827 1.00 34.44 C ATOM 1125 CE1 PHE A 74 2.981 2.486 -5.582 1.00 13.12 C ATOM 1126 CE2 PHE A 74 0.723 2.516 -4.741 1.00 3.24 C ATOM 1127 CZ PHE A 74 2.059 2.119 -4.615 1.00 61.14 C ATOM 0 H PHE A 74 2.773 6.238 -8.504 1.00 12.32 H new ATOM 0 HA PHE A 74 1.906 3.536 -9.396 1.00 64.43 H new ATOM 0 HB2 PHE A 74 0.724 5.617 -7.583 1.00 62.30 H new ATOM 0 HB3 PHE A 74 -0.202 4.284 -8.244 1.00 62.30 H new ATOM 0 HD1 PHE A 74 3.317 3.557 -7.404 1.00 52.34 H new ATOM 0 HD2 PHE A 74 -0.716 3.601 -5.920 1.00 34.44 H new ATOM 0 HE1 PHE A 74 4.007 2.160 -5.499 1.00 13.12 H new ATOM 0 HE2 PHE A 74 0.000 2.214 -3.997 1.00 3.24 H new ATOM 0 HZ PHE A 74 2.371 1.528 -3.766 1.00 61.14 H new ATOM 1137 N ASP A 75 0.329 4.423 -11.186 1.00 1.25 N ATOM 1138 CA ASP A 75 -0.451 4.985 -12.294 1.00 13.01 C ATOM 1139 C ASP A 75 -1.611 5.835 -11.753 1.00 12.01 C ATOM 1140 O ASP A 75 -2.158 6.717 -12.411 1.00 41.40 O ATOM 1141 CB ASP A 75 -0.955 3.864 -13.191 1.00 40.30 C ATOM 1142 CG ASP A 75 -1.552 4.407 -14.484 1.00 72.22 C ATOM 1143 OD1 ASP A 75 -0.877 5.187 -15.193 1.00 24.31 O ATOM 1144 OD2 ASP A 75 -2.659 3.943 -14.844 1.00 55.34 O ATOM 0 H ASP A 75 0.286 3.408 -11.097 1.00 1.25 H new ATOM 0 HA ASP A 75 0.187 5.637 -12.890 1.00 13.01 H new ATOM 0 HB2 ASP A 75 -0.133 3.187 -13.425 1.00 40.30 H new ATOM 0 HB3 ASP A 75 -1.707 3.281 -12.659 1.00 40.30 H new ATOM 1149 N ASP A 76 -1.914 5.608 -10.478 1.00 23.12 N ATOM 1150 CA ASP A 76 -2.788 6.366 -9.604 1.00 75.23 C ATOM 1151 C ASP A 76 -2.347 7.806 -9.342 1.00 74.30 C ATOM 1152 O ASP A 76 -3.143 8.604 -8.849 1.00 13.43 O ATOM 1153 CB ASP A 76 -2.809 5.629 -8.271 1.00 20.43 C ATOM 1154 CG ASP A 76 -4.030 5.980 -7.453 1.00 12.42 C ATOM 1155 OD1 ASP A 76 -5.151 5.953 -8.012 1.00 55.34 O ATOM 1156 OD2 ASP A 76 -3.897 6.000 -6.213 1.00 63.14 O ATOM 0 H ASP A 76 -1.511 4.809 -9.988 1.00 23.12 H new ATOM 0 HA ASP A 76 -3.759 6.437 -10.095 1.00 75.23 H new ATOM 0 HB2 ASP A 76 -2.789 4.554 -8.450 1.00 20.43 H new ATOM 0 HB3 ASP A 76 -1.910 5.875 -7.706 1.00 20.43 H new ATOM 1161 N GLY A 77 -1.093 8.141 -9.648 1.00 21.15 N ATOM 1162 CA GLY A 77 -0.490 9.389 -9.223 1.00 52.11 C ATOM 1163 C GLY A 77 -0.119 9.324 -7.742 1.00 61.33 C ATOM 1164 O GLY A 77 0.012 8.243 -7.159 1.00 33.34 O ATOM 0 H GLY A 77 -0.472 7.548 -10.199 1.00 21.15 H new ATOM 0 HA2 GLY A 77 0.400 9.592 -9.819 1.00 52.11 H new ATOM 0 HA3 GLY A 77 -1.183 10.212 -9.395 1.00 52.11 H new ATOM 1168 N HIS A 78 0.078 10.504 -7.158 1.00 63.30 N ATOM 1169 CA HIS A 78 0.739 10.802 -5.901 1.00 3.11 C ATOM 1170 C HIS A 78 2.074 10.048 -5.797 1.00 42.32 C ATOM 1171 O HIS A 78 2.274 9.221 -4.904 1.00 53.22 O ATOM 1172 CB HIS A 78 -0.240 10.625 -4.728 1.00 12.22 C ATOM 1173 CG HIS A 78 0.091 11.425 -3.488 1.00 2.35 C ATOM 1174 ND1 HIS A 78 -0.803 11.804 -2.508 1.00 40.34 N ATOM 1175 CD2 HIS A 78 1.290 12.015 -3.191 1.00 34.31 C ATOM 1176 CE1 HIS A 78 -0.157 12.609 -1.646 1.00 75.52 C ATOM 1177 NE2 HIS A 78 1.125 12.759 -2.019 1.00 35.34 N ATOM 0 H HIS A 78 -0.258 11.358 -7.603 1.00 63.30 H new ATOM 0 HA HIS A 78 1.028 11.852 -5.855 1.00 3.11 H new ATOM 0 HB2 HIS A 78 -1.239 10.902 -5.064 1.00 12.22 H new ATOM 0 HB3 HIS A 78 -0.275 9.569 -4.461 1.00 12.22 H new ATOM 0 HD2 HIS A 78 2.202 11.922 -3.761 1.00 34.31 H new ATOM 0 HE1 HIS A 78 -0.605 13.069 -0.778 1.00 75.52 H new ATOM 0 HE2 HIS A 78 1.839 13.309 -1.540 1.00 35.34 H new ATOM 1185 N ASP A 79 2.984 10.347 -6.729 1.00 73.33 N ATOM 1186 CA ASP A 79 4.369 9.857 -6.763 1.00 44.40 C ATOM 1187 C ASP A 79 5.203 10.421 -5.601 1.00 0.33 C ATOM 1188 O ASP A 79 5.634 9.646 -4.749 1.00 21.32 O ATOM 1189 CB ASP A 79 5.035 10.068 -8.142 1.00 64.52 C ATOM 1190 CG ASP A 79 4.851 11.464 -8.742 1.00 31.45 C ATOM 1191 OD1 ASP A 79 5.408 12.448 -8.210 1.00 12.33 O ATOM 1192 OD2 ASP A 79 4.029 11.609 -9.680 1.00 32.45 O ATOM 0 H ASP A 79 2.769 10.962 -7.514 1.00 73.33 H new ATOM 0 HA ASP A 79 4.329 8.778 -6.617 1.00 44.40 H new ATOM 0 HB2 ASP A 79 6.102 9.867 -8.048 1.00 64.52 H new ATOM 0 HB3 ASP A 79 4.633 9.333 -8.839 1.00 64.52 H new ATOM 1197 N SER A 80 5.413 11.738 -5.500 1.00 24.35 N ATOM 1198 CA SER A 80 6.165 12.353 -4.401 1.00 23.45 C ATOM 1199 C SER A 80 5.550 12.032 -3.028 1.00 33.51 C ATOM 1200 O SER A 80 4.374 11.683 -2.930 1.00 12.45 O ATOM 1201 CB SER A 80 6.175 13.870 -4.583 1.00 53.34 C ATOM 1202 OG SER A 80 6.769 14.274 -5.800 1.00 12.01 O ATOM 0 H SER A 80 5.064 12.411 -6.182 1.00 24.35 H new ATOM 0 HA SER A 80 7.176 11.946 -4.428 1.00 23.45 H new ATOM 0 HB2 SER A 80 5.151 14.242 -4.543 1.00 53.34 H new ATOM 0 HB3 SER A 80 6.713 14.327 -3.753 1.00 53.34 H new ATOM 0 HG SER A 80 6.747 15.252 -5.866 1.00 12.01 H new ATOM 1208 N GLY A 81 6.308 12.201 -1.945 1.00 42.11 N ATOM 1209 CA GLY A 81 5.865 11.927 -0.581 1.00 0.35 C ATOM 1210 C GLY A 81 6.955 11.211 0.210 1.00 34.33 C ATOM 1211 O GLY A 81 8.123 11.205 -0.195 1.00 41.41 O ATOM 0 H GLY A 81 7.269 12.540 -1.994 1.00 42.11 H new ATOM 0 HA2 GLY A 81 5.603 12.861 -0.084 1.00 0.35 H new ATOM 0 HA3 GLY A 81 4.964 11.315 -0.603 1.00 0.35 H new ATOM 1215 N LEU A 82 6.578 10.614 1.341 1.00 34.43 N ATOM 1216 CA LEU A 82 7.445 9.811 2.197 1.00 11.05 C ATOM 1217 C LEU A 82 6.839 8.417 2.352 1.00 1.12 C ATOM 1218 O LEU A 82 5.667 8.204 2.050 1.00 33.34 O ATOM 1219 CB LEU A 82 7.636 10.504 3.565 1.00 53.32 C ATOM 1220 CG LEU A 82 8.943 11.314 3.654 1.00 40.20 C ATOM 1221 CD1 LEU A 82 8.909 12.248 4.870 1.00 31.21 C ATOM 1222 CD2 LEU A 82 10.163 10.393 3.791 1.00 60.44 C ATOM 0 H LEU A 82 5.625 10.680 1.697 1.00 34.43 H new ATOM 0 HA LEU A 82 8.431 9.713 1.742 1.00 11.05 H new ATOM 0 HB2 LEU A 82 6.791 11.167 3.751 1.00 53.32 H new ATOM 0 HB3 LEU A 82 7.628 9.750 4.352 1.00 53.32 H new ATOM 0 HG LEU A 82 9.028 11.891 2.733 1.00 40.20 H new ATOM 0 HD11 LEU A 82 9.839 12.814 4.920 1.00 31.21 H new ATOM 0 HD12 LEU A 82 8.070 12.937 4.776 1.00 31.21 H new ATOM 0 HD13 LEU A 82 8.794 11.658 5.779 1.00 31.21 H new ATOM 0 HD21 LEU A 82 11.069 10.996 3.851 1.00 60.44 H new ATOM 0 HD22 LEU A 82 10.066 9.792 4.695 1.00 60.44 H new ATOM 0 HD23 LEU A 82 10.222 9.736 2.924 1.00 60.44 H new ATOM 1234 N PHE A 83 7.662 7.484 2.828 1.00 1.42 N ATOM 1235 CA PHE A 83 7.305 6.110 3.162 1.00 12.15 C ATOM 1236 C PHE A 83 8.310 5.631 4.202 1.00 33.34 C ATOM 1237 O PHE A 83 7.936 5.275 5.309 1.00 23.15 O ATOM 1238 CB PHE A 83 7.355 5.199 1.919 1.00 12.14 C ATOM 1239 CG PHE A 83 5.992 4.836 1.372 1.00 0.43 C ATOM 1240 CD1 PHE A 83 5.238 3.815 1.983 1.00 55.32 C ATOM 1241 CD2 PHE A 83 5.469 5.515 0.259 1.00 52.24 C ATOM 1242 CE1 PHE A 83 3.953 3.505 1.507 1.00 4.35 C ATOM 1243 CE2 PHE A 83 4.186 5.203 -0.213 1.00 22.34 C ATOM 1244 CZ PHE A 83 3.424 4.212 0.421 1.00 31.35 C ATOM 0 H PHE A 83 8.648 7.679 2.999 1.00 1.42 H new ATOM 0 HA PHE A 83 6.286 6.070 3.546 1.00 12.15 H new ATOM 0 HB2 PHE A 83 7.929 5.698 1.138 1.00 12.14 H new ATOM 0 HB3 PHE A 83 7.890 4.284 2.172 1.00 12.14 H new ATOM 0 HD1 PHE A 83 5.649 3.269 2.819 1.00 55.32 H new ATOM 0 HD2 PHE A 83 6.055 6.277 -0.233 1.00 52.24 H new ATOM 0 HE1 PHE A 83 3.375 2.723 1.978 1.00 4.35 H new ATOM 0 HE2 PHE A 83 3.784 5.728 -1.067 1.00 22.34 H new ATOM 0 HZ PHE A 83 2.426 3.993 0.071 1.00 31.35 H new ATOM 1254 N THR A 84 9.592 5.681 3.833 1.00 32.52 N ATOM 1255 CA THR A 84 10.746 5.245 4.612 1.00 72.50 C ATOM 1256 C THR A 84 10.797 3.716 4.772 1.00 12.24 C ATOM 1257 O THR A 84 9.795 2.997 4.726 1.00 1.21 O ATOM 1258 CB THR A 84 10.854 6.026 5.936 1.00 13.24 C ATOM 1259 OG1 THR A 84 10.589 7.399 5.694 1.00 72.41 O ATOM 1260 CG2 THR A 84 12.250 5.977 6.567 1.00 60.11 C ATOM 0 H THR A 84 9.866 6.051 2.923 1.00 32.52 H new ATOM 0 HA THR A 84 11.647 5.492 4.050 1.00 72.50 H new ATOM 0 HB THR A 84 10.139 5.557 6.612 1.00 13.24 H new ATOM 0 HG1 THR A 84 10.655 7.898 6.535 1.00 72.41 H new ATOM 0 HG21 THR A 84 12.250 6.548 7.495 1.00 60.11 H new ATOM 0 HG22 THR A 84 12.518 4.942 6.778 1.00 60.11 H new ATOM 0 HG23 THR A 84 12.976 6.406 5.877 1.00 60.11 H new ATOM 1268 N TRP A 85 12.012 3.193 4.909 1.00 42.43 N ATOM 1269 CA TRP A 85 12.255 1.762 4.930 1.00 40.54 C ATOM 1270 C TRP A 85 11.830 1.092 6.232 1.00 72.51 C ATOM 1271 O TRP A 85 11.480 -0.085 6.210 1.00 33.42 O ATOM 1272 CB TRP A 85 13.732 1.501 4.703 1.00 52.20 C ATOM 1273 CG TRP A 85 14.310 1.885 3.374 1.00 51.14 C ATOM 1274 CD1 TRP A 85 15.493 2.514 3.185 1.00 15.11 C ATOM 1275 CD2 TRP A 85 13.835 1.531 2.041 1.00 42.41 C ATOM 1276 NE1 TRP A 85 15.704 2.705 1.834 1.00 40.20 N ATOM 1277 CE2 TRP A 85 14.757 2.043 1.080 1.00 51.21 C ATOM 1278 CE3 TRP A 85 12.762 0.755 1.554 1.00 63.31 C ATOM 1279 CZ2 TRP A 85 14.629 1.778 -0.293 1.00 63.10 C ATOM 1280 CZ3 TRP A 85 12.636 0.469 0.184 1.00 55.20 C ATOM 1281 CH2 TRP A 85 13.581 0.954 -0.735 1.00 43.40 C ATOM 0 H TRP A 85 12.857 3.756 5.009 1.00 42.43 H new ATOM 0 HA TRP A 85 11.647 1.331 4.135 1.00 40.54 H new ATOM 0 HB2 TRP A 85 14.289 2.030 5.477 1.00 52.20 H new ATOM 0 HB3 TRP A 85 13.912 0.436 4.852 1.00 52.20 H new ATOM 0 HD1 TRP A 85 16.168 2.820 3.970 1.00 15.11 H new ATOM 0 HE1 TRP A 85 16.463 3.264 1.443 1.00 40.20 H new ATOM 0 HE3 TRP A 85 12.025 0.374 2.246 1.00 63.31 H new ATOM 0 HZ2 TRP A 85 15.327 2.202 -1.000 1.00 63.10 H new ATOM 0 HZ3 TRP A 85 11.806 -0.128 -0.165 1.00 55.20 H new ATOM 0 HH2 TRP A 85 13.502 0.694 -1.780 1.00 43.40 H new ATOM 1292 N ASP A 86 11.814 1.805 7.360 1.00 33.45 N ATOM 1293 CA ASP A 86 11.374 1.271 8.663 1.00 22.23 C ATOM 1294 C ASP A 86 9.841 1.145 8.738 1.00 31.12 C ATOM 1295 O ASP A 86 9.265 0.839 9.779 1.00 71.24 O ATOM 1296 CB ASP A 86 11.936 2.132 9.799 1.00 45.03 C ATOM 1297 CG ASP A 86 12.408 1.286 10.985 1.00 70.23 C ATOM 1298 OD1 ASP A 86 11.569 0.787 11.763 1.00 54.20 O ATOM 1299 OD2 ASP A 86 13.638 1.114 11.175 1.00 65.13 O ATOM 0 H ASP A 86 12.108 2.781 7.401 1.00 33.45 H new ATOM 0 HA ASP A 86 11.770 0.262 8.775 1.00 22.23 H new ATOM 0 HB2 ASP A 86 12.769 2.727 9.424 1.00 45.03 H new ATOM 0 HB3 ASP A 86 11.171 2.832 10.135 1.00 45.03 H new ATOM 1304 N TYR A 87 9.177 1.422 7.618 1.00 44.21 N ATOM 1305 CA TYR A 87 7.750 1.270 7.375 1.00 61.23 C ATOM 1306 C TYR A 87 7.509 0.298 6.211 1.00 2.14 C ATOM 1307 O TYR A 87 6.686 -0.604 6.328 1.00 11.32 O ATOM 1308 CB TYR A 87 7.180 2.656 7.081 1.00 24.14 C ATOM 1309 CG TYR A 87 5.676 2.744 6.967 1.00 34.32 C ATOM 1310 CD1 TYR A 87 4.853 2.394 8.054 1.00 60.44 C ATOM 1311 CD2 TYR A 87 5.103 3.264 5.795 1.00 21.53 C ATOM 1312 CE1 TYR A 87 3.466 2.607 7.983 1.00 20.41 C ATOM 1313 CE2 TYR A 87 3.714 3.438 5.701 1.00 63.32 C ATOM 1314 CZ TYR A 87 2.887 3.140 6.807 1.00 40.33 C ATOM 1315 OH TYR A 87 1.549 3.368 6.722 1.00 53.11 O ATOM 0 H TYR A 87 9.662 1.786 6.797 1.00 44.21 H new ATOM 0 HA TYR A 87 7.249 0.849 8.247 1.00 61.23 H new ATOM 0 HB2 TYR A 87 7.505 3.335 7.869 1.00 24.14 H new ATOM 0 HB3 TYR A 87 7.617 3.016 6.150 1.00 24.14 H new ATOM 0 HD1 TYR A 87 5.288 1.962 8.943 1.00 60.44 H new ATOM 0 HD2 TYR A 87 5.735 3.531 4.961 1.00 21.53 H new ATOM 0 HE1 TYR A 87 2.840 2.363 8.829 1.00 20.41 H new ATOM 0 HE2 TYR A 87 3.277 3.800 4.782 1.00 63.32 H new ATOM 0 HH TYR A 87 1.335 3.737 5.840 1.00 53.11 H new ATOM 1325 N LEU A 88 8.213 0.446 5.081 1.00 35.51 N ATOM 1326 CA LEU A 88 7.949 -0.337 3.866 1.00 62.44 C ATOM 1327 C LEU A 88 8.122 -1.840 4.037 1.00 5.05 C ATOM 1328 O LEU A 88 7.340 -2.605 3.471 1.00 14.25 O ATOM 1329 CB LEU A 88 8.835 0.151 2.707 1.00 0.25 C ATOM 1330 CG LEU A 88 8.197 1.326 1.952 1.00 12.22 C ATOM 1331 CD1 LEU A 88 9.251 2.029 1.097 1.00 14.45 C ATOM 1332 CD2 LEU A 88 7.049 0.864 1.044 1.00 72.43 C ATOM 0 H LEU A 88 8.980 1.111 4.983 1.00 35.51 H new ATOM 0 HA LEU A 88 6.896 -0.171 3.641 1.00 62.44 H new ATOM 0 HB2 LEU A 88 9.807 0.455 3.096 1.00 0.25 H new ATOM 0 HB3 LEU A 88 9.012 -0.672 2.014 1.00 0.25 H new ATOM 0 HG LEU A 88 7.793 2.011 2.697 1.00 12.22 H new ATOM 0 HD11 LEU A 88 8.791 2.861 0.564 1.00 14.45 H new ATOM 0 HD12 LEU A 88 10.048 2.405 1.738 1.00 14.45 H new ATOM 0 HD13 LEU A 88 9.666 1.323 0.378 1.00 14.45 H new ATOM 0 HD21 LEU A 88 6.624 1.725 0.528 1.00 72.43 H new ATOM 0 HD22 LEU A 88 7.429 0.152 0.311 1.00 72.43 H new ATOM 0 HD23 LEU A 88 6.277 0.386 1.648 1.00 72.43 H new ATOM 1344 N TYR A 89 9.144 -2.279 4.763 1.00 14.02 N ATOM 1345 CA TYR A 89 9.344 -3.698 5.024 1.00 43.04 C ATOM 1346 C TYR A 89 8.390 -4.183 6.113 1.00 10.35 C ATOM 1347 O TYR A 89 7.959 -5.328 6.057 1.00 41.42 O ATOM 1348 CB TYR A 89 10.807 -3.939 5.372 1.00 12.02 C ATOM 1349 CG TYR A 89 11.608 -4.822 4.425 1.00 10.21 C ATOM 1350 CD1 TYR A 89 11.063 -5.895 3.683 1.00 33.54 C ATOM 1351 CD2 TYR A 89 12.974 -4.543 4.303 1.00 13.22 C ATOM 1352 CE1 TYR A 89 11.895 -6.644 2.842 1.00 73.02 C ATOM 1353 CE2 TYR A 89 13.806 -5.273 3.456 1.00 74.33 C ATOM 1354 CZ TYR A 89 13.277 -6.378 2.762 1.00 50.41 C ATOM 1355 OH TYR A 89 14.077 -7.153 1.984 1.00 74.40 O ATOM 0 H TYR A 89 9.848 -1.671 5.182 1.00 14.02 H new ATOM 0 HA TYR A 89 9.112 -4.281 4.132 1.00 43.04 H new ATOM 0 HB2 TYR A 89 11.304 -2.971 5.434 1.00 12.02 H new ATOM 0 HB3 TYR A 89 10.850 -4.383 6.366 1.00 12.02 H new ATOM 0 HD1 TYR A 89 10.013 -6.135 3.764 1.00 33.54 H new ATOM 0 HD2 TYR A 89 13.397 -3.736 4.884 1.00 13.22 H new ATOM 0 HE1 TYR A 89 11.471 -7.438 2.245 1.00 73.02 H new ATOM 0 HE2 TYR A 89 14.842 -4.995 3.334 1.00 74.33 H new ATOM 0 HH TYR A 89 14.163 -8.042 2.387 1.00 74.40 H new ATOM 1365 N GLU A 90 7.999 -3.318 7.046 1.00 10.33 N ATOM 1366 CA GLU A 90 6.979 -3.581 8.042 1.00 2.42 C ATOM 1367 C GLU A 90 5.714 -3.991 7.290 1.00 25.12 C ATOM 1368 O GLU A 90 5.237 -5.111 7.444 1.00 25.42 O ATOM 1369 CB GLU A 90 6.761 -2.324 8.911 1.00 25.45 C ATOM 1370 CG GLU A 90 6.345 -2.650 10.348 1.00 62.22 C ATOM 1371 CD GLU A 90 7.550 -2.763 11.281 1.00 10.03 C ATOM 1372 OE1 GLU A 90 8.518 -3.483 10.946 1.00 30.31 O ATOM 1373 OE2 GLU A 90 7.505 -2.153 12.372 1.00 14.25 O ATOM 0 H GLU A 90 8.401 -2.384 7.127 1.00 10.33 H new ATOM 0 HA GLU A 90 7.272 -4.382 8.721 1.00 2.42 H new ATOM 0 HB2 GLU A 90 7.680 -1.739 8.929 1.00 25.45 H new ATOM 0 HB3 GLU A 90 5.995 -1.700 8.450 1.00 25.45 H new ATOM 0 HG2 GLU A 90 5.673 -1.874 10.716 1.00 62.22 H new ATOM 0 HG3 GLU A 90 5.788 -3.587 10.360 1.00 62.22 H new ATOM 1380 N LEU A 91 5.236 -3.125 6.388 1.00 74.23 N ATOM 1381 CA LEU A 91 4.041 -3.328 5.567 1.00 72.20 C ATOM 1382 C LEU A 91 4.090 -4.640 4.769 1.00 52.30 C ATOM 1383 O LEU A 91 3.040 -5.134 4.368 1.00 52.44 O ATOM 1384 CB LEU A 91 3.894 -2.170 4.555 1.00 1.34 C ATOM 1385 CG LEU A 91 3.591 -0.765 5.114 1.00 65.10 C ATOM 1386 CD1 LEU A 91 3.759 0.276 4.000 1.00 32.11 C ATOM 1387 CD2 LEU A 91 2.189 -0.672 5.703 1.00 33.22 C ATOM 0 H LEU A 91 5.690 -2.230 6.205 1.00 74.23 H new ATOM 0 HA LEU A 91 3.197 -3.366 6.255 1.00 72.20 H new ATOM 0 HB2 LEU A 91 4.817 -2.110 3.978 1.00 1.34 H new ATOM 0 HB3 LEU A 91 3.098 -2.433 3.858 1.00 1.34 H new ATOM 0 HG LEU A 91 4.297 -0.568 5.921 1.00 65.10 H new ATOM 0 HD11 LEU A 91 3.545 1.269 4.395 1.00 32.11 H new ATOM 0 HD12 LEU A 91 4.783 0.247 3.626 1.00 32.11 H new ATOM 0 HD13 LEU A 91 3.069 0.053 3.186 1.00 32.11 H new ATOM 0 HD21 LEU A 91 2.021 0.335 6.084 1.00 33.22 H new ATOM 0 HD22 LEU A 91 1.454 -0.895 4.930 1.00 33.22 H new ATOM 0 HD23 LEU A 91 2.088 -1.390 6.517 1.00 33.22 H new ATOM 1399 N ALA A 92 5.282 -5.193 4.523 1.00 65.22 N ATOM 1400 CA ALA A 92 5.471 -6.478 3.869 1.00 3.12 C ATOM 1401 C ALA A 92 4.909 -7.590 4.751 1.00 21.33 C ATOM 1402 O ALA A 92 3.966 -8.286 4.373 1.00 41.04 O ATOM 1403 CB ALA A 92 6.964 -6.694 3.564 1.00 21.24 C ATOM 0 H ALA A 92 6.160 -4.743 4.782 1.00 65.22 H new ATOM 0 HA ALA A 92 4.932 -6.495 2.922 1.00 3.12 H new ATOM 0 HB1 ALA A 92 7.099 -7.658 3.074 1.00 21.24 H new ATOM 0 HB2 ALA A 92 7.320 -5.900 2.907 1.00 21.24 H new ATOM 0 HB3 ALA A 92 7.532 -6.677 4.494 1.00 21.24 H new ATOM 1409 N THR A 93 5.496 -7.749 5.938 1.00 71.24 N ATOM 1410 CA THR A 93 5.137 -8.836 6.848 1.00 23.15 C ATOM 1411 C THR A 93 3.765 -8.567 7.480 1.00 63.43 C ATOM 1412 O THR A 93 3.045 -9.501 7.824 1.00 32.33 O ATOM 1413 CB THR A 93 6.292 -9.116 7.842 1.00 53.01 C ATOM 1414 OG1 THR A 93 5.917 -9.955 8.914 1.00 5.35 O ATOM 1415 CG2 THR A 93 6.938 -7.866 8.433 1.00 34.51 C ATOM 0 H THR A 93 6.228 -7.133 6.293 1.00 71.24 H new ATOM 0 HA THR A 93 5.014 -9.771 6.302 1.00 23.15 H new ATOM 0 HB THR A 93 7.025 -9.621 7.213 1.00 53.01 H new ATOM 0 HG1 THR A 93 6.687 -10.095 9.504 1.00 5.35 H new ATOM 0 HG21 THR A 93 7.735 -8.157 9.117 1.00 34.51 H new ATOM 0 HG22 THR A 93 7.353 -7.257 7.630 1.00 34.51 H new ATOM 0 HG23 THR A 93 6.188 -7.290 8.975 1.00 34.51 H new ATOM 1423 N ARG A 94 3.363 -7.298 7.560 1.00 63.24 N ATOM 1424 CA ARG A 94 2.108 -6.832 8.134 1.00 21.41 C ATOM 1425 C ARG A 94 0.916 -6.945 7.196 1.00 61.53 C ATOM 1426 O ARG A 94 -0.190 -6.587 7.609 1.00 2.13 O ATOM 1427 CB ARG A 94 2.296 -5.357 8.499 1.00 52.01 C ATOM 1428 CG ARG A 94 3.301 -5.153 9.636 1.00 41.23 C ATOM 1429 CD ARG A 94 2.585 -5.328 10.966 1.00 61.41 C ATOM 1430 NE ARG A 94 1.651 -4.253 11.295 1.00 31.51 N ATOM 1431 CZ ARG A 94 1.933 -3.033 11.748 1.00 70.54 C ATOM 1432 NH1 ARG A 94 3.193 -2.652 11.950 1.00 11.12 N ATOM 1433 NH2 ARG A 94 0.941 -2.195 12.013 1.00 10.45 N ATOM 0 H ARG A 94 3.936 -6.531 7.207 1.00 63.24 H new ATOM 0 HA ARG A 94 1.885 -7.465 8.993 1.00 21.41 H new ATOM 0 HB2 ARG A 94 2.633 -4.809 7.619 1.00 52.01 H new ATOM 0 HB3 ARG A 94 1.335 -4.933 8.789 1.00 52.01 H new ATOM 0 HG2 ARG A 94 4.117 -5.870 9.550 1.00 41.23 H new ATOM 0 HG3 ARG A 94 3.743 -4.159 9.574 1.00 41.23 H new ATOM 0 HD2 ARG A 94 2.042 -6.273 10.951 1.00 61.41 H new ATOM 0 HD3 ARG A 94 3.330 -5.401 11.759 1.00 61.41 H new ATOM 0 HE ARG A 94 0.662 -4.463 11.161 1.00 31.51 H new ATOM 0 HH11 ARG A 94 3.958 -3.298 11.757 1.00 11.12 H new ATOM 0 HH12 ARG A 94 3.393 -1.714 12.297 1.00 11.12 H new ATOM 0 HH21 ARG A 94 -0.026 -2.487 11.869 1.00 10.45 H new ATOM 0 HH22 ARG A 94 1.144 -1.258 12.360 1.00 10.45 H new ATOM 1447 N LYS A 95 1.109 -7.332 5.928 1.00 4.01 N ATOM 1448 CA LYS A 95 0.057 -7.165 4.935 1.00 41.44 C ATOM 1449 C LYS A 95 -1.209 -7.863 5.358 1.00 64.33 C ATOM 1450 O LYS A 95 -2.261 -7.255 5.213 1.00 11.11 O ATOM 1451 CB LYS A 95 0.481 -7.590 3.524 1.00 62.14 C ATOM 1452 CG LYS A 95 -0.690 -7.447 2.540 1.00 42.02 C ATOM 1453 CD LYS A 95 -0.288 -7.658 1.077 1.00 21.42 C ATOM 1454 CE LYS A 95 -1.107 -8.730 0.351 1.00 23.21 C ATOM 1455 NZ LYS A 95 -2.571 -8.647 0.579 1.00 72.50 N ATOM 0 H LYS A 95 1.969 -7.754 5.577 1.00 4.01 H new ATOM 0 HA LYS A 95 -0.141 -6.095 4.882 1.00 41.44 H new ATOM 0 HB2 LYS A 95 1.319 -6.978 3.191 1.00 62.14 H new ATOM 0 HB3 LYS A 95 0.827 -8.624 3.538 1.00 62.14 H new ATOM 0 HG2 LYS A 95 -1.465 -8.167 2.803 1.00 42.02 H new ATOM 0 HG3 LYS A 95 -1.127 -6.454 2.649 1.00 42.02 H new ATOM 0 HD2 LYS A 95 -0.392 -6.713 0.543 1.00 21.42 H new ATOM 0 HD3 LYS A 95 0.766 -7.933 1.037 1.00 21.42 H new ATOM 0 HE2 LYS A 95 -0.914 -8.654 -0.719 1.00 23.21 H new ATOM 0 HE3 LYS A 95 -0.758 -9.713 0.668 1.00 23.21 H new ATOM 0 HZ1 LYS A 95 -3.073 -9.068 -0.229 1.00 72.50 H new ATOM 0 HZ2 LYS A 95 -2.817 -9.164 1.447 1.00 72.50 H new ATOM 0 HZ3 LYS A 95 -2.851 -7.650 0.679 1.00 72.50 H new ATOM 1469 N ASP A 96 -1.128 -9.111 5.801 1.00 21.53 N ATOM 1470 CA ASP A 96 -2.340 -9.884 6.061 1.00 45.01 C ATOM 1471 C ASP A 96 -3.269 -9.165 7.039 1.00 5.21 C ATOM 1472 O ASP A 96 -4.448 -8.968 6.738 1.00 71.54 O ATOM 1473 CB ASP A 96 -2.038 -11.293 6.561 1.00 43.34 C ATOM 1474 CG ASP A 96 -3.361 -12.049 6.631 1.00 13.42 C ATOM 1475 OD1 ASP A 96 -3.864 -12.435 5.550 1.00 42.30 O ATOM 1476 OD2 ASP A 96 -3.901 -12.243 7.746 1.00 73.31 O ATOM 0 H ASP A 96 -0.254 -9.604 5.986 1.00 21.53 H new ATOM 0 HA ASP A 96 -2.850 -9.976 5.102 1.00 45.01 H new ATOM 0 HB2 ASP A 96 -1.343 -11.797 5.889 1.00 43.34 H new ATOM 0 HB3 ASP A 96 -1.564 -11.258 7.542 1.00 43.34 H new ATOM 1481 N GLN A 97 -2.723 -8.720 8.173 1.00 45.20 N ATOM 1482 CA GLN A 97 -3.459 -7.969 9.175 1.00 3.05 C ATOM 1483 C GLN A 97 -3.991 -6.662 8.590 1.00 14.43 C ATOM 1484 O GLN A 97 -5.199 -6.425 8.624 1.00 25.31 O ATOM 1485 CB GLN A 97 -2.557 -7.733 10.396 1.00 63.54 C ATOM 1486 CG GLN A 97 -3.198 -6.913 11.527 1.00 70.43 C ATOM 1487 CD GLN A 97 -4.544 -7.477 11.998 1.00 44.11 C ATOM 1488 OE1 GLN A 97 -4.620 -8.206 12.983 1.00 63.13 O ATOM 1489 NE2 GLN A 97 -5.629 -7.174 11.307 1.00 41.20 N ATOM 0 H GLN A 97 -1.745 -8.876 8.418 1.00 45.20 H new ATOM 0 HA GLN A 97 -4.328 -8.542 9.499 1.00 3.05 H new ATOM 0 HB2 GLN A 97 -2.252 -8.700 10.796 1.00 63.54 H new ATOM 0 HB3 GLN A 97 -1.651 -7.224 10.067 1.00 63.54 H new ATOM 0 HG2 GLN A 97 -2.512 -6.875 12.373 1.00 70.43 H new ATOM 0 HG3 GLN A 97 -3.341 -5.887 11.187 1.00 70.43 H new ATOM 0 HE21 GLN A 97 -5.560 -6.568 10.489 1.00 41.20 H new ATOM 0 HE22 GLN A 97 -6.535 -7.546 11.591 1.00 41.20 H new ATOM 1498 N LEU A 98 -3.113 -5.812 8.057 1.00 63.42 N ATOM 1499 CA LEU A 98 -3.478 -4.492 7.549 1.00 61.11 C ATOM 1500 C LEU A 98 -4.543 -4.589 6.474 1.00 3.41 C ATOM 1501 O LEU A 98 -5.407 -3.725 6.354 1.00 31.35 O ATOM 1502 CB LEU A 98 -2.233 -3.831 6.946 1.00 63.51 C ATOM 1503 CG LEU A 98 -1.452 -2.921 7.903 1.00 61.50 C ATOM 1504 CD1 LEU A 98 -1.282 -3.507 9.298 1.00 25.13 C ATOM 1505 CD2 LEU A 98 -0.057 -2.665 7.330 1.00 74.52 C ATOM 0 H LEU A 98 -2.119 -6.024 7.966 1.00 63.42 H new ATOM 0 HA LEU A 98 -3.873 -3.903 8.377 1.00 61.11 H new ATOM 0 HB2 LEU A 98 -1.564 -4.613 6.585 1.00 63.51 H new ATOM 0 HB3 LEU A 98 -2.536 -3.245 6.078 1.00 63.51 H new ATOM 0 HG LEU A 98 -2.034 -2.004 7.996 1.00 61.50 H new ATOM 0 HD11 LEU A 98 -0.721 -2.809 9.920 1.00 25.13 H new ATOM 0 HD12 LEU A 98 -2.262 -3.681 9.742 1.00 25.13 H new ATOM 0 HD13 LEU A 98 -0.741 -4.451 9.233 1.00 25.13 H new ATOM 0 HD21 LEU A 98 0.501 -2.019 8.007 1.00 74.52 H new ATOM 0 HD22 LEU A 98 0.469 -3.613 7.217 1.00 74.52 H new ATOM 0 HD23 LEU A 98 -0.146 -2.181 6.357 1.00 74.52 H new ATOM 1517 N TRP A 99 -4.458 -5.628 5.654 1.00 11.41 N ATOM 1518 CA TRP A 99 -5.400 -5.865 4.596 1.00 71.12 C ATOM 1519 C TRP A 99 -6.752 -6.227 5.176 1.00 45.23 C ATOM 1520 O TRP A 99 -7.725 -5.568 4.825 1.00 44.20 O ATOM 1521 CB TRP A 99 -4.858 -6.926 3.644 1.00 11.41 C ATOM 1522 CG TRP A 99 -5.575 -7.043 2.345 1.00 22.55 C ATOM 1523 CD1 TRP A 99 -6.064 -8.190 1.829 1.00 64.24 C ATOM 1524 CD2 TRP A 99 -5.886 -5.991 1.385 1.00 10.02 C ATOM 1525 NE1 TRP A 99 -6.504 -7.949 0.543 1.00 63.53 N ATOM 1526 CE2 TRP A 99 -6.441 -6.609 0.227 1.00 23.13 C ATOM 1527 CE3 TRP A 99 -5.771 -4.580 1.374 1.00 25.23 C ATOM 1528 CZ2 TRP A 99 -6.822 -5.870 -0.900 1.00 10.04 C ATOM 1529 CZ3 TRP A 99 -6.132 -3.832 0.244 1.00 2.01 C ATOM 1530 CH2 TRP A 99 -6.667 -4.475 -0.882 1.00 24.24 C ATOM 0 H TRP A 99 -3.721 -6.331 5.715 1.00 11.41 H new ATOM 0 HA TRP A 99 -5.540 -4.956 4.011 1.00 71.12 H new ATOM 0 HB2 TRP A 99 -3.809 -6.708 3.443 1.00 11.41 H new ATOM 0 HB3 TRP A 99 -4.892 -7.893 4.147 1.00 11.41 H new ATOM 0 HD1 TRP A 99 -6.104 -9.141 2.339 1.00 64.24 H new ATOM 0 HE1 TRP A 99 -6.835 -8.673 -0.095 1.00 63.53 H new ATOM 0 HE3 TRP A 99 -5.399 -4.071 2.251 1.00 25.23 H new ATOM 0 HZ2 TRP A 99 -7.229 -6.366 -1.769 1.00 10.04 H new ATOM 0 HZ3 TRP A 99 -5.998 -2.760 0.241 1.00 2.01 H new ATOM 0 HH2 TRP A 99 -6.962 -3.892 -1.742 1.00 24.24 H new ATOM 1541 N ALA A 100 -6.827 -7.223 6.060 1.00 13.12 N ATOM 1542 CA ALA A 100 -8.098 -7.616 6.648 1.00 65.14 C ATOM 1543 C ALA A 100 -8.746 -6.432 7.388 1.00 12.31 C ATOM 1544 O ALA A 100 -9.960 -6.257 7.323 1.00 42.01 O ATOM 1545 CB ALA A 100 -7.871 -8.789 7.607 1.00 11.35 C ATOM 0 H ALA A 100 -6.025 -7.766 6.380 1.00 13.12 H new ATOM 0 HA ALA A 100 -8.777 -7.925 5.854 1.00 65.14 H new ATOM 0 HB1 ALA A 100 -8.822 -9.086 8.050 1.00 11.35 H new ATOM 0 HB2 ALA A 100 -7.447 -9.630 7.059 1.00 11.35 H new ATOM 0 HB3 ALA A 100 -7.182 -8.486 8.396 1.00 11.35 H new ATOM 1551 N ASP A 101 -7.939 -5.596 8.044 1.00 5.01 N ATOM 1552 CA ASP A 101 -8.351 -4.387 8.760 1.00 42.01 C ATOM 1553 C ASP A 101 -8.900 -3.316 7.806 1.00 72.30 C ATOM 1554 O ASP A 101 -9.935 -2.706 8.086 1.00 41.42 O ATOM 1555 CB ASP A 101 -7.137 -3.871 9.538 1.00 22.32 C ATOM 1556 CG ASP A 101 -7.405 -2.567 10.288 1.00 74.12 C ATOM 1557 OD1 ASP A 101 -7.820 -2.615 11.468 1.00 54.43 O ATOM 1558 OD2 ASP A 101 -7.098 -1.485 9.739 1.00 1.44 O ATOM 0 H ASP A 101 -6.932 -5.751 8.093 1.00 5.01 H new ATOM 0 HA ASP A 101 -9.166 -4.624 9.444 1.00 42.01 H new ATOM 0 HB2 ASP A 101 -6.821 -4.633 10.251 1.00 22.32 H new ATOM 0 HB3 ASP A 101 -6.309 -3.719 8.846 1.00 22.32 H new ATOM 1563 N TYR A 102 -8.256 -3.117 6.650 1.00 53.44 N ATOM 1564 CA TYR A 102 -8.761 -2.245 5.587 1.00 53.12 C ATOM 1565 C TYR A 102 -9.994 -2.802 4.877 1.00 44.04 C ATOM 1566 O TYR A 102 -10.778 -2.043 4.290 1.00 31.34 O ATOM 1567 CB TYR A 102 -7.675 -1.975 4.532 1.00 4.12 C ATOM 1568 CG TYR A 102 -7.111 -0.580 4.636 1.00 10.04 C ATOM 1569 CD1 TYR A 102 -7.982 0.515 4.495 1.00 61.31 C ATOM 1570 CD2 TYR A 102 -5.748 -0.375 4.905 1.00 4.22 C ATOM 1571 CE1 TYR A 102 -7.498 1.823 4.634 1.00 20.52 C ATOM 1572 CE2 TYR A 102 -5.253 0.942 5.027 1.00 11.01 C ATOM 1573 CZ TYR A 102 -6.133 2.041 4.897 1.00 40.02 C ATOM 1574 OH TYR A 102 -5.677 3.318 4.939 1.00 22.22 O ATOM 0 H TYR A 102 -7.365 -3.560 6.426 1.00 53.44 H new ATOM 0 HA TYR A 102 -9.049 -1.321 6.088 1.00 53.12 H new ATOM 0 HB2 TYR A 102 -6.869 -2.700 4.649 1.00 4.12 H new ATOM 0 HB3 TYR A 102 -8.094 -2.122 3.537 1.00 4.12 H new ATOM 0 HD1 TYR A 102 -9.027 0.348 4.279 1.00 61.31 H new ATOM 0 HD2 TYR A 102 -5.083 -1.219 5.018 1.00 4.22 H new ATOM 0 HE1 TYR A 102 -8.171 2.662 4.539 1.00 20.52 H new ATOM 0 HE2 TYR A 102 -4.204 1.109 5.219 1.00 11.01 H new ATOM 0 HH TYR A 102 -6.074 3.831 4.205 1.00 22.22 H new ATOM 1584 N LEU A 103 -10.141 -4.121 4.843 1.00 10.34 N ATOM 1585 CA LEU A 103 -11.295 -4.785 4.265 1.00 72.14 C ATOM 1586 C LEU A 103 -12.470 -4.642 5.215 1.00 30.54 C ATOM 1587 O LEU A 103 -13.589 -4.445 4.747 1.00 10.31 O ATOM 1588 CB LEU A 103 -10.985 -6.267 4.013 1.00 2.41 C ATOM 1589 CG LEU A 103 -10.319 -6.597 2.655 1.00 71.23 C ATOM 1590 CD1 LEU A 103 -9.479 -5.476 2.008 1.00 63.31 C ATOM 1591 CD2 LEU A 103 -9.448 -7.849 2.782 1.00 21.34 C ATOM 0 H LEU A 103 -9.449 -4.766 5.223 1.00 10.34 H new ATOM 0 HA LEU A 103 -11.543 -4.325 3.309 1.00 72.14 H new ATOM 0 HB2 LEU A 103 -10.334 -6.623 4.811 1.00 2.41 H new ATOM 0 HB3 LEU A 103 -11.915 -6.830 4.086 1.00 2.41 H new ATOM 0 HG LEU A 103 -11.165 -6.748 1.985 1.00 71.23 H new ATOM 0 HD11 LEU A 103 -9.066 -5.830 1.063 1.00 63.31 H new ATOM 0 HD12 LEU A 103 -10.111 -4.607 1.825 1.00 63.31 H new ATOM 0 HD13 LEU A 103 -8.665 -5.198 2.678 1.00 63.31 H new ATOM 0 HD21 LEU A 103 -8.986 -8.070 1.820 1.00 21.34 H new ATOM 0 HD22 LEU A 103 -8.671 -7.678 3.527 1.00 21.34 H new ATOM 0 HD23 LEU A 103 -10.066 -8.693 3.090 1.00 21.34 H new ATOM 1603 N ALA A 104 -12.235 -4.736 6.524 1.00 2.02 N ATOM 1604 CA ALA A 104 -13.241 -4.473 7.537 1.00 63.22 C ATOM 1605 C ALA A 104 -13.757 -3.042 7.389 1.00 70.52 C ATOM 1606 O ALA A 104 -14.966 -2.860 7.290 1.00 44.42 O ATOM 1607 CB ALA A 104 -12.667 -4.761 8.924 1.00 13.03 C ATOM 0 H ALA A 104 -11.328 -5.000 6.909 1.00 2.02 H new ATOM 0 HA ALA A 104 -14.096 -5.136 7.405 1.00 63.22 H new ATOM 0 HB1 ALA A 104 -13.426 -4.562 9.680 1.00 13.03 H new ATOM 0 HB2 ALA A 104 -12.362 -5.806 8.982 1.00 13.03 H new ATOM 0 HB3 ALA A 104 -11.803 -4.121 9.100 1.00 13.03 H new ATOM 1613 N GLU A 105 -12.855 -2.063 7.265 1.00 10.11 N ATOM 1614 CA GLU A 105 -13.189 -0.657 7.049 1.00 32.52 C ATOM 1615 C GLU A 105 -14.131 -0.497 5.858 1.00 12.23 C ATOM 1616 O GLU A 105 -15.226 0.040 5.978 1.00 63.10 O ATOM 1617 CB GLU A 105 -11.905 0.156 6.827 1.00 5.31 C ATOM 1618 CG GLU A 105 -11.256 0.668 8.123 1.00 73.20 C ATOM 1619 CD GLU A 105 -11.558 2.144 8.416 1.00 21.31 C ATOM 1620 OE1 GLU A 105 -11.493 2.985 7.492 1.00 23.51 O ATOM 1621 OE2 GLU A 105 -11.868 2.491 9.581 1.00 51.13 O ATOM 0 H GLU A 105 -11.850 -2.233 7.314 1.00 10.11 H new ATOM 0 HA GLU A 105 -13.700 -0.282 7.936 1.00 32.52 H new ATOM 0 HB2 GLU A 105 -11.184 -0.462 6.292 1.00 5.31 H new ATOM 0 HB3 GLU A 105 -12.133 1.008 6.186 1.00 5.31 H new ATOM 0 HG2 GLU A 105 -11.604 0.061 8.959 1.00 73.20 H new ATOM 0 HG3 GLU A 105 -10.176 0.532 8.058 1.00 73.20 H new ATOM 1628 N LEU A 106 -13.731 -0.980 4.684 1.00 25.45 N ATOM 1629 CA LEU A 106 -14.474 -0.806 3.447 1.00 10.11 C ATOM 1630 C LEU A 106 -15.844 -1.471 3.529 1.00 31.24 C ATOM 1631 O LEU A 106 -16.850 -0.908 3.094 1.00 51.41 O ATOM 1632 CB LEU A 106 -13.539 -1.344 2.352 1.00 65.14 C ATOM 1633 CG LEU A 106 -14.014 -1.307 0.891 1.00 72.30 C ATOM 1634 CD1 LEU A 106 -15.014 -2.440 0.653 1.00 4.21 C ATOM 1635 CD2 LEU A 106 -14.598 0.055 0.575 1.00 15.42 C ATOM 0 H LEU A 106 -12.868 -1.511 4.568 1.00 25.45 H new ATOM 0 HA LEU A 106 -14.727 0.231 3.227 1.00 10.11 H new ATOM 0 HB2 LEU A 106 -12.606 -0.784 2.410 1.00 65.14 H new ATOM 0 HB3 LEU A 106 -13.305 -2.380 2.597 1.00 65.14 H new ATOM 0 HG LEU A 106 -13.173 -1.462 0.215 1.00 72.30 H new ATOM 0 HD11 LEU A 106 -15.352 -2.415 -0.383 1.00 4.21 H new ATOM 0 HD12 LEU A 106 -14.534 -3.397 0.855 1.00 4.21 H new ATOM 0 HD13 LEU A 106 -15.870 -2.316 1.317 1.00 4.21 H new ATOM 0 HD21 LEU A 106 -14.933 0.076 -0.462 1.00 15.42 H new ATOM 0 HD22 LEU A 106 -15.444 0.250 1.234 1.00 15.42 H new ATOM 0 HD23 LEU A 106 -13.837 0.821 0.726 1.00 15.42 H new ATOM 1647 N ALA A 107 -15.881 -2.643 4.154 1.00 51.34 N ATOM 1648 CA ALA A 107 -17.097 -3.417 4.345 1.00 12.02 C ATOM 1649 C ALA A 107 -17.986 -2.849 5.456 1.00 70.40 C ATOM 1650 O ALA A 107 -19.083 -3.366 5.676 1.00 72.30 O ATOM 1651 CB ALA A 107 -16.707 -4.850 4.688 1.00 43.11 C ATOM 0 H ALA A 107 -15.051 -3.087 4.548 1.00 51.34 H new ATOM 0 HA ALA A 107 -17.674 -3.375 3.421 1.00 12.02 H new ATOM 0 HB1 ALA A 107 -17.607 -5.447 4.835 1.00 43.11 H new ATOM 0 HB2 ALA A 107 -16.121 -5.273 3.872 1.00 43.11 H new ATOM 0 HB3 ALA A 107 -16.114 -4.857 5.602 1.00 43.11 H new ATOM 1657 N SER A 108 -17.518 -1.852 6.201 1.00 72.53 N ATOM 1658 CA SER A 108 -18.273 -1.109 7.192 1.00 13.13 C ATOM 1659 C SER A 108 -18.803 0.162 6.528 1.00 13.14 C ATOM 1660 O SER A 108 -20.001 0.439 6.567 1.00 73.41 O ATOM 1661 CB SER A 108 -17.321 -0.802 8.357 1.00 54.42 C ATOM 1662 OG SER A 108 -18.022 -0.357 9.499 1.00 65.30 O ATOM 0 H SER A 108 -16.554 -1.528 6.122 1.00 72.53 H new ATOM 0 HA SER A 108 -19.126 -1.667 7.578 1.00 13.13 H new ATOM 0 HB2 SER A 108 -16.750 -1.696 8.606 1.00 54.42 H new ATOM 0 HB3 SER A 108 -16.604 -0.041 8.050 1.00 54.42 H new ATOM 0 HG SER A 108 -17.386 -0.172 10.222 1.00 65.30 H new ATOM 1668 N ALA A 109 -17.907 0.885 5.854 1.00 60.22 N ATOM 1669 CA ALA A 109 -18.131 2.207 5.290 1.00 53.23 C ATOM 1670 C ALA A 109 -19.163 2.211 4.157 1.00 42.00 C ATOM 1671 O ALA A 109 -19.560 3.287 3.711 1.00 33.34 O ATOM 1672 CB ALA A 109 -16.788 2.759 4.790 1.00 74.20 C ATOM 0 H ALA A 109 -16.962 0.544 5.681 1.00 60.22 H new ATOM 0 HA ALA A 109 -18.543 2.841 6.075 1.00 53.23 H new ATOM 0 HB1 ALA A 109 -16.938 3.751 4.364 1.00 74.20 H new ATOM 0 HB2 ALA A 109 -16.089 2.825 5.623 1.00 74.20 H new ATOM 0 HB3 ALA A 109 -16.382 2.094 4.028 1.00 74.20 H new ATOM 1678 N GLY A 110 -19.585 1.042 3.666 1.00 35.23 N ATOM 1679 CA GLY A 110 -20.556 0.931 2.590 1.00 11.35 C ATOM 1680 C GLY A 110 -19.986 1.458 1.289 1.00 64.30 C ATOM 1681 O GLY A 110 -20.666 2.207 0.587 1.00 0.43 O ATOM 0 H GLY A 110 -19.255 0.141 4.012 1.00 35.23 H new ATOM 0 HA2 GLY A 110 -20.850 -0.111 2.467 1.00 11.35 H new ATOM 0 HA3 GLY A 110 -21.457 1.488 2.849 1.00 11.35 H new ATOM 1685 N LYS A 111 -18.747 1.076 0.965 1.00 51.04 N ATOM 1686 CA LYS A 111 -18.181 1.327 -0.354 1.00 71.20 C ATOM 1687 C LYS A 111 -17.667 0.001 -0.911 1.00 51.24 C ATOM 1688 O LYS A 111 -17.840 -1.048 -0.282 1.00 64.13 O ATOM 1689 CB LYS A 111 -17.095 2.415 -0.274 1.00 13.21 C ATOM 1690 CG LYS A 111 -17.469 3.710 0.460 1.00 31.32 C ATOM 1691 CD LYS A 111 -18.383 4.608 -0.370 1.00 54.44 C ATOM 1692 CE LYS A 111 -18.509 5.944 0.361 1.00 43.30 C ATOM 1693 NZ LYS A 111 -18.798 7.070 -0.541 1.00 53.00 N ATOM 0 H LYS A 111 -18.118 0.590 1.605 1.00 51.04 H new ATOM 0 HA LYS A 111 -18.936 1.713 -1.039 1.00 71.20 H new ATOM 0 HB2 LYS A 111 -16.220 1.987 0.215 1.00 13.21 H new ATOM 0 HB3 LYS A 111 -16.797 2.674 -1.290 1.00 13.21 H new ATOM 0 HG2 LYS A 111 -17.964 3.462 1.399 1.00 31.32 H new ATOM 0 HG3 LYS A 111 -16.560 4.256 0.713 1.00 31.32 H new ATOM 0 HD2 LYS A 111 -17.971 4.755 -1.368 1.00 54.44 H new ATOM 0 HD3 LYS A 111 -19.362 4.146 -0.495 1.00 54.44 H new ATOM 0 HE2 LYS A 111 -19.301 5.870 1.106 1.00 43.30 H new ATOM 0 HE3 LYS A 111 -17.583 6.146 0.899 1.00 43.30 H new ATOM 0 HZ1 LYS A 111 -18.838 7.953 0.008 1.00 53.00 H new ATOM 0 HZ2 LYS A 111 -18.048 7.142 -1.258 1.00 53.00 H new ATOM 0 HZ3 LYS A 111 -19.712 6.912 -1.011 1.00 53.00 H new ATOM 1707 N SER A 112 -16.982 0.059 -2.049 1.00 72.21 N ATOM 1708 CA SER A 112 -16.316 -1.056 -2.697 1.00 20.32 C ATOM 1709 C SER A 112 -14.897 -0.680 -3.071 1.00 1.23 C ATOM 1710 O SER A 112 -14.550 0.499 -3.187 1.00 53.43 O ATOM 1711 CB SER A 112 -17.097 -1.455 -3.942 1.00 15.22 C ATOM 1712 OG SER A 112 -18.200 -2.258 -3.580 1.00 4.02 O ATOM 0 H SER A 112 -16.874 0.931 -2.567 1.00 72.21 H new ATOM 0 HA SER A 112 -16.277 -1.899 -2.007 1.00 20.32 H new ATOM 0 HB2 SER A 112 -17.441 -0.564 -4.467 1.00 15.22 H new ATOM 0 HB3 SER A 112 -16.449 -2.000 -4.629 1.00 15.22 H new ATOM 0 HG SER A 112 -18.699 -2.510 -4.385 1.00 4.02 H new ATOM 1718 N ARG A 113 -14.065 -1.702 -3.273 1.00 62.31 N ATOM 1719 CA ARG A 113 -12.768 -1.492 -3.893 1.00 35.24 C ATOM 1720 C ARG A 113 -12.964 -1.025 -5.328 1.00 51.00 C ATOM 1721 O ARG A 113 -12.200 -0.195 -5.805 1.00 22.54 O ATOM 1722 CB ARG A 113 -11.944 -2.776 -3.915 1.00 20.23 C ATOM 1723 CG ARG A 113 -11.686 -3.449 -2.566 1.00 43.03 C ATOM 1724 CD ARG A 113 -10.502 -4.389 -2.819 1.00 63.51 C ATOM 1725 NE ARG A 113 -10.143 -5.243 -1.690 1.00 3.32 N ATOM 1726 CZ ARG A 113 -10.373 -6.564 -1.629 1.00 51.21 C ATOM 1727 NH1 ARG A 113 -11.260 -7.120 -2.435 1.00 4.41 N ATOM 1728 NH2 ARG A 113 -9.722 -7.363 -0.793 1.00 5.23 N ATOM 0 H ARG A 113 -14.267 -2.669 -3.018 1.00 62.31 H new ATOM 0 HA ARG A 113 -12.236 -0.742 -3.307 1.00 35.24 H new ATOM 0 HB2 ARG A 113 -12.449 -3.493 -4.562 1.00 20.23 H new ATOM 0 HB3 ARG A 113 -10.981 -2.555 -4.375 1.00 20.23 H new ATOM 0 HG2 ARG A 113 -11.451 -2.714 -1.796 1.00 43.03 H new ATOM 0 HG3 ARG A 113 -12.562 -4.000 -2.224 1.00 43.03 H new ATOM 0 HD2 ARG A 113 -10.736 -5.022 -3.675 1.00 63.51 H new ATOM 0 HD3 ARG A 113 -9.634 -3.790 -3.093 1.00 63.51 H new ATOM 0 HE ARG A 113 -9.685 -4.804 -0.891 1.00 3.32 H new ATOM 0 HH11 ARG A 113 -11.771 -6.545 -3.105 1.00 4.41 H new ATOM 0 HH12 ARG A 113 -11.434 -8.124 -2.387 1.00 4.41 H new ATOM 0 HH21 ARG A 113 -9.016 -6.978 -0.165 1.00 5.23 H new ATOM 0 HH22 ARG A 113 -9.927 -8.362 -0.778 1.00 5.23 H new ATOM 1742 N ASP A 114 -13.941 -1.589 -6.031 1.00 1.25 N ATOM 1743 CA ASP A 114 -14.274 -1.208 -7.400 1.00 44.00 C ATOM 1744 C ASP A 114 -14.945 0.170 -7.418 1.00 21.45 C ATOM 1745 O ASP A 114 -15.518 0.600 -6.409 1.00 31.35 O ATOM 1746 CB ASP A 114 -15.196 -2.261 -8.027 1.00 55.43 C ATOM 1747 CG ASP A 114 -14.726 -2.862 -9.353 1.00 55.23 C ATOM 1748 OD1 ASP A 114 -13.674 -2.480 -9.913 1.00 40.04 O ATOM 1749 OD2 ASP A 114 -15.502 -3.673 -9.893 1.00 1.11 O ATOM 0 H ASP A 114 -14.532 -2.334 -5.661 1.00 1.25 H new ATOM 0 HA ASP A 114 -13.356 -1.153 -7.986 1.00 44.00 H new ATOM 0 HB2 ASP A 114 -15.328 -3.072 -7.310 1.00 55.43 H new ATOM 0 HB3 ASP A 114 -16.176 -1.810 -8.183 1.00 55.43 H new ATOM 1754 N PRO A 115 -14.911 0.867 -8.563 1.00 34.51 N ATOM 1755 CA PRO A 115 -15.440 2.203 -8.716 1.00 2.15 C ATOM 1756 C PRO A 115 -16.958 2.219 -8.707 1.00 34.44 C ATOM 1757 O PRO A 115 -17.538 3.105 -8.083 1.00 1.41 O ATOM 1758 CB PRO A 115 -14.850 2.744 -10.025 1.00 12.15 C ATOM 1759 CG PRO A 115 -14.478 1.503 -10.831 1.00 0.24 C ATOM 1760 CD PRO A 115 -14.311 0.411 -9.793 1.00 74.32 C ATOM 0 HA PRO A 115 -15.158 2.839 -7.877 1.00 2.15 H new ATOM 0 HB2 PRO A 115 -15.573 3.360 -10.559 1.00 12.15 H new ATOM 0 HB3 PRO A 115 -13.977 3.369 -9.836 1.00 12.15 H new ATOM 0 HG2 PRO A 115 -15.256 1.250 -11.551 1.00 0.24 H new ATOM 0 HG3 PRO A 115 -13.559 1.658 -11.396 1.00 0.24 H new ATOM 0 HD2 PRO A 115 -14.786 -0.510 -10.130 1.00 74.32 H new ATOM 0 HD3 PRO A 115 -13.255 0.188 -9.642 1.00 74.32 H new