USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -133:sc= -0.682! USER MOD Set 1.2: A 78 GLN : amide:sc= -3.81! C(o=-4.5!,f=-7.5!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -155:sc= -0.0699 (180deg=0) USER MOD Set 2.2: A 43 HIS : no HE2:sc= -2.96! C(o=-3!,f=-8.4!) USER MOD Set 3.1: A 32 CYS SG : rot -136:sc= 0.216 USER MOD Set 3.2: A 35 CYS SG : rot 105:sc= -2.12! USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.68) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.532 (180deg=-1.21) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -146:sc= -0.364 USER MOD Single : A 46 SER OG : rot -109:sc= -1.59 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.41) USER MOD Single : A 62 CYS SG : rot 180:sc=-0.00156 USER MOD Single : A 63 GLN : amide:sc= -0.365 K(o=-0.36,f=1.2) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc=-0.00456 (180deg=-0.113) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.892 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= -2.57 (180deg=-5.08!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= -1.12 (180deg=-1.12) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.222 (180deg=-1.24!) USER MOD Single : A 100 THR OG1 : rot 90:sc= -0.326! USER MOD Single : A 102 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.145 -0.249 8.996 1.00 0.23 N ATOM 21 CA VAL A 2 -2.973 -0.456 8.101 1.00 0.23 C ATOM 22 C VAL A 2 -2.087 -1.582 8.643 1.00 0.35 C ATOM 23 O VAL A 2 -1.982 -1.769 9.840 1.00 0.38 O ATOM 24 CB VAL A 2 -2.166 0.833 8.032 1.00 0.49 C ATOM 25 CG1 VAL A 2 -1.095 0.695 6.950 1.00 0.69 C ATOM 26 CG2 VAL A 2 -3.098 1.989 7.670 1.00 0.42 C ATOM 0 HA VAL A 2 -3.325 -0.730 7.106 1.00 0.23 H new ATOM 0 HB VAL A 2 -1.695 1.027 8.996 1.00 0.49 H new ATOM 0 HG11 VAL A 2 -0.513 1.615 6.895 1.00 0.69 H new ATOM 0 HG12 VAL A 2 -0.436 -0.138 7.195 1.00 0.69 H new ATOM 0 HG13 VAL A 2 -1.572 0.509 5.988 1.00 0.69 H new ATOM 0 HG21 VAL A 2 -2.526 2.915 7.619 1.00 0.42 H new ATOM 0 HG22 VAL A 2 -3.560 1.794 6.702 1.00 0.42 H new ATOM 0 HG23 VAL A 2 -3.873 2.083 8.430 1.00 0.42 H new ATOM 36 N LYS A 3 -1.469 -2.303 7.743 1.00 0.48 N ATOM 37 CA LYS A 3 -0.582 -3.430 8.169 1.00 0.65 C ATOM 38 C LYS A 3 0.874 -3.127 7.795 1.00 0.48 C ATOM 39 O LYS A 3 1.192 -2.923 6.640 1.00 0.63 O ATOM 40 CB LYS A 3 -1.035 -4.707 7.460 1.00 0.82 C ATOM 41 CG LYS A 3 -0.953 -5.885 8.435 1.00 1.11 C ATOM 42 CD LYS A 3 0.493 -6.050 8.908 1.00 1.15 C ATOM 43 CE LYS A 3 0.738 -7.518 9.257 1.00 1.06 C ATOM 44 NZ LYS A 3 -0.403 -8.064 10.044 1.00 0.43 N ATOM 0 H LYS A 3 -1.539 -2.162 6.735 1.00 0.48 H new ATOM 0 HA LYS A 3 -0.648 -3.556 9.250 1.00 0.65 H new ATOM 0 HB2 LYS A 3 -2.056 -4.592 7.096 1.00 0.82 H new ATOM 0 HB3 LYS A 3 -0.406 -4.896 6.590 1.00 0.82 H new ATOM 0 HG2 LYS A 3 -1.609 -5.712 9.288 1.00 1.11 H new ATOM 0 HG3 LYS A 3 -1.295 -6.799 7.949 1.00 1.11 H new ATOM 0 HD2 LYS A 3 1.183 -5.728 8.128 1.00 1.15 H new ATOM 0 HD3 LYS A 3 0.679 -5.420 9.778 1.00 1.15 H new ATOM 0 HE2 LYS A 3 0.868 -8.098 8.344 1.00 1.06 H new ATOM 0 HE3 LYS A 3 1.661 -7.613 9.829 1.00 1.06 H new ATOM 0 HZ1 LYS A 3 -0.072 -8.855 10.633 1.00 0.43 H new ATOM 0 HZ2 LYS A 3 -0.793 -7.317 10.654 1.00 0.43 H new ATOM 0 HZ3 LYS A 3 -1.142 -8.402 9.395 1.00 0.43 H new ATOM 58 N GLN A 4 1.729 -3.103 8.783 1.00 0.34 N ATOM 59 CA GLN A 4 3.168 -2.817 8.504 1.00 0.35 C ATOM 60 C GLN A 4 3.871 -4.084 8.007 1.00 0.19 C ATOM 61 O GLN A 4 3.756 -5.136 8.604 1.00 0.21 O ATOM 62 CB GLN A 4 3.842 -2.332 9.788 1.00 0.65 C ATOM 63 CG GLN A 4 5.282 -1.920 9.474 1.00 0.74 C ATOM 64 CD GLN A 4 5.865 -1.156 10.667 1.00 1.24 C ATOM 65 OE1 GLN A 4 6.505 -1.724 11.528 1.00 2.19 O ATOM 66 NE2 GLN A 4 5.668 0.131 10.752 1.00 1.20 N ATOM 0 H GLN A 4 1.497 -3.267 9.763 1.00 0.34 H new ATOM 0 HA GLN A 4 3.238 -2.048 7.734 1.00 0.35 H new ATOM 0 HB2 GLN A 4 3.292 -1.488 10.205 1.00 0.65 H new ATOM 0 HB3 GLN A 4 3.832 -3.122 10.539 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.886 -2.802 9.263 1.00 0.74 H new ATOM 0 HG3 GLN A 4 5.307 -1.295 8.581 1.00 0.74 H new ATOM 0 HE21 GLN A 4 5.131 0.613 10.031 1.00 1.20 H new ATOM 0 HE22 GLN A 4 6.051 0.655 11.539 1.00 1.20 H new ATOM 75 N ILE A 5 4.588 -3.955 6.923 1.00 0.22 N ATOM 76 CA ILE A 5 5.306 -5.143 6.371 1.00 0.26 C ATOM 77 C ILE A 5 6.765 -5.146 6.850 1.00 0.26 C ATOM 78 O ILE A 5 7.209 -4.216 7.493 1.00 0.22 O ATOM 79 CB ILE A 5 5.271 -5.075 4.836 1.00 0.44 C ATOM 80 CG1 ILE A 5 3.819 -4.835 4.369 1.00 0.41 C ATOM 81 CG2 ILE A 5 5.814 -6.390 4.235 1.00 0.56 C ATOM 82 CD1 ILE A 5 2.888 -5.885 4.988 1.00 0.31 C ATOM 0 H ILE A 5 4.708 -3.088 6.399 1.00 0.22 H new ATOM 0 HA ILE A 5 4.820 -6.055 6.717 1.00 0.26 H new ATOM 0 HB ILE A 5 5.900 -4.253 4.495 1.00 0.44 H new ATOM 0 HG12 ILE A 5 3.496 -3.835 4.658 1.00 0.41 H new ATOM 0 HG13 ILE A 5 3.765 -4.885 3.281 1.00 0.41 H new ATOM 0 HG21 ILE A 5 5.785 -6.332 3.147 1.00 0.56 H new ATOM 0 HG22 ILE A 5 6.842 -6.543 4.563 1.00 0.56 H new ATOM 0 HG23 ILE A 5 5.198 -7.225 4.570 1.00 0.56 H new ATOM 0 HD11 ILE A 5 1.866 -5.708 4.653 1.00 0.31 H new ATOM 0 HD12 ILE A 5 3.204 -6.881 4.677 1.00 0.31 H new ATOM 0 HD13 ILE A 5 2.931 -5.814 6.075 1.00 0.31 H new ATOM 94 N GLU A 6 7.475 -6.195 6.528 1.00 0.35 N ATOM 95 CA GLU A 6 8.904 -6.273 6.952 1.00 0.39 C ATOM 96 C GLU A 6 9.744 -6.934 5.854 1.00 0.57 C ATOM 97 O GLU A 6 10.838 -6.498 5.559 1.00 0.78 O ATOM 98 CB GLU A 6 9.002 -7.099 8.236 1.00 0.34 C ATOM 99 CG GLU A 6 10.431 -7.625 8.384 1.00 1.68 C ATOM 100 CD GLU A 6 10.694 -7.974 9.851 1.00 1.86 C ATOM 101 OE1 GLU A 6 9.779 -8.512 10.451 1.00 0.97 O ATOM 102 OE2 GLU A 6 11.796 -7.683 10.287 1.00 3.02 O ATOM 0 H GLU A 6 7.132 -6.994 5.995 1.00 0.35 H new ATOM 0 HA GLU A 6 9.282 -5.266 7.129 1.00 0.39 H new ATOM 0 HB2 GLU A 6 8.735 -6.488 9.098 1.00 0.34 H new ATOM 0 HB3 GLU A 6 8.297 -7.930 8.204 1.00 0.34 H new ATOM 0 HG2 GLU A 6 10.573 -8.506 7.758 1.00 1.68 H new ATOM 0 HG3 GLU A 6 11.144 -6.874 8.044 1.00 1.68 H new ATOM 109 N SER A 7 9.212 -7.975 5.273 1.00 0.49 N ATOM 110 CA SER A 7 9.965 -8.676 4.191 1.00 0.66 C ATOM 111 C SER A 7 8.993 -9.400 3.254 1.00 0.43 C ATOM 112 O SER A 7 7.802 -9.158 3.283 1.00 0.36 O ATOM 113 CB SER A 7 10.918 -9.691 4.820 1.00 0.87 C ATOM 114 OG SER A 7 10.070 -10.539 5.581 1.00 0.72 O ATOM 0 H SER A 7 8.298 -8.368 5.497 1.00 0.49 H new ATOM 0 HA SER A 7 10.530 -7.943 3.615 1.00 0.66 H new ATOM 0 HB2 SER A 7 11.462 -10.251 4.059 1.00 0.87 H new ATOM 0 HB3 SER A 7 11.662 -9.202 5.450 1.00 0.87 H new ATOM 0 HG SER A 7 10.608 -11.229 6.022 1.00 0.72 H new ATOM 120 N LYS A 8 9.522 -10.276 2.443 1.00 0.33 N ATOM 121 CA LYS A 8 8.639 -11.023 1.500 1.00 0.23 C ATOM 122 C LYS A 8 7.792 -12.036 2.268 1.00 0.23 C ATOM 123 O LYS A 8 6.613 -12.186 2.016 1.00 0.27 O ATOM 124 CB LYS A 8 9.508 -11.751 0.471 1.00 0.33 C ATOM 125 CG LYS A 8 8.608 -12.411 -0.578 1.00 0.46 C ATOM 126 CD LYS A 8 9.481 -13.160 -1.588 1.00 0.33 C ATOM 127 CE LYS A 8 9.509 -14.645 -1.222 1.00 1.38 C ATOM 128 NZ LYS A 8 10.513 -15.368 -2.054 1.00 1.48 N ATOM 0 H LYS A 8 10.515 -10.505 2.392 1.00 0.33 H new ATOM 0 HA LYS A 8 7.975 -10.323 0.992 1.00 0.23 H new ATOM 0 HB2 LYS A 8 10.189 -11.048 -0.009 1.00 0.33 H new ATOM 0 HB3 LYS A 8 10.122 -12.504 0.965 1.00 0.33 H new ATOM 0 HG2 LYS A 8 7.914 -13.100 -0.097 1.00 0.46 H new ATOM 0 HG3 LYS A 8 8.008 -11.657 -1.087 1.00 0.46 H new ATOM 0 HD2 LYS A 8 9.087 -13.029 -2.596 1.00 0.33 H new ATOM 0 HD3 LYS A 8 10.492 -12.753 -1.586 1.00 0.33 H new ATOM 0 HE2 LYS A 8 9.752 -14.761 -0.166 1.00 1.38 H new ATOM 0 HE3 LYS A 8 8.521 -15.081 -1.372 1.00 1.38 H new ATOM 0 HZ1 LYS A 8 10.520 -16.375 -1.793 1.00 1.48 H new ATOM 0 HZ2 LYS A 8 10.264 -15.272 -3.059 1.00 1.48 H new ATOM 0 HZ3 LYS A 8 11.456 -14.962 -1.891 1.00 1.48 H new ATOM 142 N THR A 9 8.413 -12.704 3.187 1.00 0.40 N ATOM 143 CA THR A 9 7.668 -13.712 3.991 1.00 0.65 C ATOM 144 C THR A 9 6.424 -13.072 4.599 1.00 0.68 C ATOM 145 O THR A 9 5.390 -13.698 4.721 1.00 0.81 O ATOM 146 CB THR A 9 8.575 -14.233 5.109 1.00 0.82 C ATOM 147 OG1 THR A 9 9.737 -14.715 4.440 1.00 0.86 O ATOM 148 CG2 THR A 9 7.971 -15.453 5.798 1.00 0.95 C ATOM 0 H THR A 9 9.401 -12.601 3.420 1.00 0.40 H new ATOM 0 HA THR A 9 7.365 -14.538 3.348 1.00 0.65 H new ATOM 0 HB THR A 9 8.745 -13.448 5.846 1.00 0.82 H new ATOM 0 HG1 THR A 9 10.372 -15.067 5.099 1.00 0.86 H new ATOM 0 HG21 THR A 9 8.642 -15.795 6.586 1.00 0.95 H new ATOM 0 HG22 THR A 9 7.008 -15.186 6.233 1.00 0.95 H new ATOM 0 HG23 THR A 9 7.831 -16.251 5.069 1.00 0.95 H new ATOM 156 N ALA A 10 6.559 -11.837 4.965 1.00 0.61 N ATOM 157 CA ALA A 10 5.412 -11.118 5.571 1.00 0.67 C ATOM 158 C ALA A 10 4.449 -10.639 4.482 1.00 0.58 C ATOM 159 O ALA A 10 3.267 -10.913 4.534 1.00 0.61 O ATOM 160 CB ALA A 10 5.932 -9.916 6.349 1.00 0.71 C ATOM 0 H ALA A 10 7.415 -11.291 4.871 1.00 0.61 H new ATOM 0 HA ALA A 10 4.880 -11.795 6.239 1.00 0.67 H new ATOM 0 HB1 ALA A 10 5.094 -9.383 6.797 1.00 0.71 H new ATOM 0 HB2 ALA A 10 6.608 -10.255 7.134 1.00 0.71 H new ATOM 0 HB3 ALA A 10 6.467 -9.249 5.673 1.00 0.71 H new ATOM 166 N PHE A 11 4.978 -9.924 3.523 1.00 0.47 N ATOM 167 CA PHE A 11 4.110 -9.418 2.418 1.00 0.38 C ATOM 168 C PHE A 11 3.157 -10.522 1.960 1.00 0.43 C ATOM 169 O PHE A 11 2.076 -10.255 1.483 1.00 0.42 O ATOM 170 CB PHE A 11 4.997 -8.985 1.249 1.00 0.25 C ATOM 171 CG PHE A 11 4.123 -8.441 0.112 1.00 0.16 C ATOM 172 CD1 PHE A 11 3.416 -7.262 0.271 1.00 0.20 C ATOM 173 CD2 PHE A 11 4.030 -9.123 -1.090 1.00 0.20 C ATOM 174 CE1 PHE A 11 2.630 -6.773 -0.756 1.00 0.21 C ATOM 175 CE2 PHE A 11 3.245 -8.632 -2.114 1.00 0.28 C ATOM 176 CZ PHE A 11 2.546 -7.458 -1.947 1.00 0.26 C ATOM 0 H PHE A 11 5.964 -9.670 3.457 1.00 0.47 H new ATOM 0 HA PHE A 11 3.524 -8.570 2.771 1.00 0.38 H new ATOM 0 HB2 PHE A 11 5.701 -8.220 1.578 1.00 0.25 H new ATOM 0 HB3 PHE A 11 5.587 -9.830 0.895 1.00 0.25 H new ATOM 0 HD1 PHE A 11 3.479 -6.720 1.203 1.00 0.20 H new ATOM 0 HD2 PHE A 11 4.575 -10.045 -1.227 1.00 0.20 H new ATOM 0 HE1 PHE A 11 2.081 -5.852 -0.624 1.00 0.21 H new ATOM 0 HE2 PHE A 11 3.179 -9.170 -3.048 1.00 0.28 H new ATOM 0 HZ PHE A 11 1.933 -7.075 -2.749 1.00 0.26 H new ATOM 186 N GLN A 12 3.586 -11.743 2.118 1.00 0.51 N ATOM 187 CA GLN A 12 2.721 -12.886 1.700 1.00 0.61 C ATOM 188 C GLN A 12 1.605 -13.111 2.719 1.00 0.73 C ATOM 189 O GLN A 12 0.435 -13.036 2.399 1.00 0.86 O ATOM 190 CB GLN A 12 3.576 -14.147 1.594 1.00 0.70 C ATOM 191 CG GLN A 12 4.353 -14.118 0.276 1.00 0.62 C ATOM 192 CD GLN A 12 3.572 -14.891 -0.790 1.00 0.33 C ATOM 193 OE1 GLN A 12 3.492 -16.103 -0.760 1.00 1.38 O ATOM 194 NE2 GLN A 12 2.980 -14.227 -1.745 1.00 0.70 N ATOM 0 H GLN A 12 4.490 -12.000 2.515 1.00 0.51 H new ATOM 0 HA GLN A 12 2.271 -12.658 0.734 1.00 0.61 H new ATOM 0 HB2 GLN A 12 4.266 -14.205 2.436 1.00 0.70 H new ATOM 0 HB3 GLN A 12 2.944 -15.034 1.638 1.00 0.70 H new ATOM 0 HG2 GLN A 12 4.507 -13.088 -0.046 1.00 0.62 H new ATOM 0 HG3 GLN A 12 5.340 -14.561 0.413 1.00 0.62 H new ATOM 0 HE21 GLN A 12 3.044 -13.209 -1.774 1.00 0.70 H new ATOM 0 HE22 GLN A 12 2.453 -14.726 -2.462 1.00 0.70 H new ATOM 203 N GLU A 13 1.999 -13.380 3.924 1.00 0.70 N ATOM 204 CA GLU A 13 0.992 -13.627 4.998 1.00 0.83 C ATOM 205 C GLU A 13 -0.110 -12.561 4.966 1.00 0.66 C ATOM 206 O GLU A 13 -1.272 -12.864 5.152 1.00 0.61 O ATOM 207 CB GLU A 13 1.692 -13.594 6.356 1.00 1.04 C ATOM 208 CG GLU A 13 2.653 -14.782 6.455 1.00 0.73 C ATOM 209 CD GLU A 13 3.194 -14.879 7.883 1.00 1.57 C ATOM 210 OE1 GLU A 13 3.679 -13.861 8.349 1.00 2.69 O ATOM 211 OE2 GLU A 13 3.092 -15.966 8.428 1.00 1.40 O ATOM 0 H GLU A 13 2.974 -13.441 4.219 1.00 0.70 H new ATOM 0 HA GLU A 13 0.534 -14.602 4.834 1.00 0.83 H new ATOM 0 HB2 GLU A 13 2.238 -12.658 6.475 1.00 1.04 H new ATOM 0 HB3 GLU A 13 0.956 -13.638 7.159 1.00 1.04 H new ATOM 0 HG2 GLU A 13 2.138 -15.704 6.186 1.00 0.73 H new ATOM 0 HG3 GLU A 13 3.475 -14.659 5.750 1.00 0.73 H new ATOM 218 N ALA A 14 0.275 -11.339 4.731 1.00 0.60 N ATOM 219 CA ALA A 14 -0.744 -10.249 4.690 1.00 0.50 C ATOM 220 C ALA A 14 -1.810 -10.561 3.637 1.00 0.35 C ATOM 221 O ALA A 14 -2.992 -10.492 3.908 1.00 0.33 O ATOM 222 CB ALA A 14 -0.054 -8.929 4.344 1.00 0.51 C ATOM 0 H ALA A 14 1.239 -11.047 4.567 1.00 0.60 H new ATOM 0 HA ALA A 14 -1.225 -10.171 5.665 1.00 0.50 H new ATOM 0 HB1 ALA A 14 -0.794 -8.129 4.313 1.00 0.51 H new ATOM 0 HB2 ALA A 14 0.695 -8.701 5.102 1.00 0.51 H new ATOM 0 HB3 ALA A 14 0.429 -9.015 3.371 1.00 0.51 H new ATOM 228 N LEU A 15 -1.369 -10.898 2.458 1.00 0.32 N ATOM 229 CA LEU A 15 -2.345 -11.218 1.377 1.00 0.32 C ATOM 230 C LEU A 15 -3.059 -12.536 1.687 1.00 0.42 C ATOM 231 O LEU A 15 -4.027 -12.888 1.042 1.00 0.50 O ATOM 232 CB LEU A 15 -1.597 -11.331 0.050 1.00 0.35 C ATOM 233 CG LEU A 15 -0.771 -10.057 -0.164 1.00 0.31 C ATOM 234 CD1 LEU A 15 0.016 -10.176 -1.469 1.00 0.34 C ATOM 235 CD2 LEU A 15 -1.705 -8.848 -0.253 1.00 0.31 C ATOM 0 H LEU A 15 -0.385 -10.966 2.196 1.00 0.32 H new ATOM 0 HA LEU A 15 -3.091 -10.426 1.312 1.00 0.32 H new ATOM 0 HB2 LEU A 15 -0.946 -12.205 0.057 1.00 0.35 H new ATOM 0 HB3 LEU A 15 -2.302 -11.465 -0.770 1.00 0.35 H new ATOM 0 HG LEU A 15 -0.084 -9.928 0.673 1.00 0.31 H new ATOM 0 HD11 LEU A 15 0.604 -9.271 -1.623 1.00 0.34 H new ATOM 0 HD12 LEU A 15 0.682 -11.037 -1.415 1.00 0.34 H new ATOM 0 HD13 LEU A 15 -0.676 -10.305 -2.301 1.00 0.34 H new ATOM 0 HD21 LEU A 15 -1.116 -7.944 -0.405 1.00 0.31 H new ATOM 0 HD22 LEU A 15 -2.391 -8.979 -1.090 1.00 0.31 H new ATOM 0 HD23 LEU A 15 -2.274 -8.759 0.672 1.00 0.31 H new ATOM 247 N ASP A 16 -2.564 -13.236 2.669 1.00 0.51 N ATOM 248 CA ASP A 16 -3.206 -14.530 3.042 1.00 0.66 C ATOM 249 C ASP A 16 -4.193 -14.313 4.189 1.00 0.62 C ATOM 250 O ASP A 16 -5.094 -15.102 4.395 1.00 0.70 O ATOM 251 CB ASP A 16 -2.128 -15.520 3.476 1.00 0.84 C ATOM 252 CG ASP A 16 -2.763 -16.896 3.699 1.00 1.27 C ATOM 253 OD1 ASP A 16 -3.924 -17.019 3.346 1.00 1.51 O ATOM 254 OD2 ASP A 16 -2.050 -17.745 4.209 1.00 2.00 O ATOM 0 H ASP A 16 -1.751 -12.973 3.226 1.00 0.51 H new ATOM 0 HA ASP A 16 -3.745 -14.926 2.181 1.00 0.66 H new ATOM 0 HB2 ASP A 16 -1.350 -15.585 2.715 1.00 0.84 H new ATOM 0 HB3 ASP A 16 -1.649 -15.175 4.392 1.00 0.84 H new ATOM 259 N ALA A 17 -3.998 -13.242 4.908 1.00 0.54 N ATOM 260 CA ALA A 17 -4.908 -12.939 6.055 1.00 0.54 C ATOM 261 C ALA A 17 -5.877 -11.814 5.677 1.00 0.43 C ATOM 262 O ALA A 17 -6.752 -11.462 6.442 1.00 0.43 O ATOM 263 CB ALA A 17 -4.070 -12.506 7.256 1.00 0.60 C ATOM 0 H ALA A 17 -3.252 -12.564 4.754 1.00 0.54 H new ATOM 0 HA ALA A 17 -5.483 -13.831 6.304 1.00 0.54 H new ATOM 0 HB1 ALA A 17 -4.727 -12.283 8.097 1.00 0.60 H new ATOM 0 HB2 ALA A 17 -3.387 -13.310 7.532 1.00 0.60 H new ATOM 0 HB3 ALA A 17 -3.497 -11.616 6.998 1.00 0.60 H new ATOM 269 N ALA A 18 -5.698 -11.273 4.503 1.00 0.36 N ATOM 270 CA ALA A 18 -6.598 -10.169 4.059 1.00 0.26 C ATOM 271 C ALA A 18 -7.834 -10.742 3.360 1.00 0.21 C ATOM 272 O ALA A 18 -8.848 -10.081 3.249 1.00 0.55 O ATOM 273 CB ALA A 18 -5.837 -9.267 3.087 1.00 0.22 C ATOM 0 H ALA A 18 -4.975 -11.544 3.837 1.00 0.36 H new ATOM 0 HA ALA A 18 -6.919 -9.595 4.928 1.00 0.26 H new ATOM 0 HB1 ALA A 18 -6.487 -8.457 2.757 1.00 0.22 H new ATOM 0 HB2 ALA A 18 -4.963 -8.850 3.586 1.00 0.22 H new ATOM 0 HB3 ALA A 18 -5.518 -9.850 2.223 1.00 0.22 H new ATOM 279 N GLY A 19 -7.722 -11.958 2.902 1.00 0.23 N ATOM 280 CA GLY A 19 -8.880 -12.585 2.206 1.00 0.28 C ATOM 281 C GLY A 19 -8.812 -12.301 0.706 1.00 0.32 C ATOM 282 O GLY A 19 -7.948 -12.804 0.015 1.00 0.38 O ATOM 0 H GLY A 19 -6.888 -12.540 2.978 1.00 0.23 H new ATOM 0 HA2 GLY A 19 -8.879 -13.661 2.380 1.00 0.28 H new ATOM 0 HA3 GLY A 19 -9.813 -12.197 2.615 1.00 0.28 H new ATOM 286 N ASP A 20 -9.730 -11.500 0.234 1.00 0.29 N ATOM 287 CA ASP A 20 -9.736 -11.164 -1.224 1.00 0.32 C ATOM 288 C ASP A 20 -10.071 -9.679 -1.437 1.00 0.34 C ATOM 289 O ASP A 20 -9.740 -9.113 -2.461 1.00 0.44 O ATOM 290 CB ASP A 20 -10.778 -12.031 -1.932 1.00 0.35 C ATOM 291 CG ASP A 20 -11.193 -13.180 -1.010 1.00 0.89 C ATOM 292 OD1 ASP A 20 -10.485 -14.174 -1.031 1.00 1.78 O ATOM 293 OD2 ASP A 20 -12.193 -12.999 -0.335 1.00 1.36 O ATOM 0 H ASP A 20 -10.470 -11.067 0.786 1.00 0.29 H new ATOM 0 HA ASP A 20 -8.746 -11.357 -1.636 1.00 0.32 H new ATOM 0 HB2 ASP A 20 -11.648 -11.430 -2.197 1.00 0.35 H new ATOM 0 HB3 ASP A 20 -10.368 -12.426 -2.862 1.00 0.35 H new ATOM 298 N LYS A 21 -10.723 -9.082 -0.472 1.00 0.29 N ATOM 299 CA LYS A 21 -11.073 -7.635 -0.614 1.00 0.31 C ATOM 300 C LYS A 21 -9.863 -6.860 -1.146 1.00 0.27 C ATOM 301 O LYS A 21 -8.737 -7.263 -0.948 1.00 0.20 O ATOM 302 CB LYS A 21 -11.475 -7.081 0.753 1.00 0.29 C ATOM 303 CG LYS A 21 -12.723 -7.817 1.249 1.00 0.44 C ATOM 304 CD LYS A 21 -12.573 -8.107 2.745 1.00 0.36 C ATOM 305 CE LYS A 21 -13.847 -8.784 3.257 1.00 0.67 C ATOM 306 NZ LYS A 21 -13.640 -9.310 4.637 1.00 0.53 N ATOM 0 H LYS A 21 -11.025 -9.525 0.396 1.00 0.29 H new ATOM 0 HA LYS A 21 -11.902 -7.527 -1.313 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -10.658 -7.206 1.464 1.00 0.29 H new ATOM 0 HB3 LYS A 21 -11.674 -6.012 0.681 1.00 0.29 H new ATOM 0 HG2 LYS A 21 -13.612 -7.212 1.071 1.00 0.44 H new ATOM 0 HG3 LYS A 21 -12.855 -8.748 0.697 1.00 0.44 H new ATOM 0 HD2 LYS A 21 -11.710 -8.750 2.918 1.00 0.36 H new ATOM 0 HD3 LYS A 21 -12.395 -7.181 3.291 1.00 0.36 H new ATOM 0 HE2 LYS A 21 -14.672 -8.071 3.253 1.00 0.67 H new ATOM 0 HE3 LYS A 21 -14.127 -9.599 2.589 1.00 0.67 H new ATOM 0 HZ1 LYS A 21 -14.514 -9.766 4.969 1.00 0.53 H new ATOM 0 HZ2 LYS A 21 -12.867 -10.006 4.631 1.00 0.53 H new ATOM 0 HZ3 LYS A 21 -13.395 -8.526 5.274 1.00 0.53 H new ATOM 320 N LEU A 22 -10.119 -5.766 -1.815 1.00 0.44 N ATOM 321 CA LEU A 22 -8.974 -4.975 -2.365 1.00 0.43 C ATOM 322 C LEU A 22 -7.889 -4.811 -1.300 1.00 0.26 C ATOM 323 O LEU A 22 -8.181 -4.633 -0.132 1.00 0.23 O ATOM 324 CB LEU A 22 -9.433 -3.577 -2.813 1.00 0.59 C ATOM 325 CG LEU A 22 -10.888 -3.608 -3.287 1.00 1.28 C ATOM 326 CD1 LEU A 22 -11.274 -2.209 -3.768 1.00 1.60 C ATOM 327 CD2 LEU A 22 -11.022 -4.594 -4.452 1.00 2.28 C ATOM 0 H LEU A 22 -11.049 -5.391 -2.002 1.00 0.44 H new ATOM 0 HA LEU A 22 -8.580 -5.517 -3.225 1.00 0.43 H new ATOM 0 HB2 LEU A 22 -9.330 -2.874 -1.987 1.00 0.59 H new ATOM 0 HB3 LEU A 22 -8.791 -3.219 -3.618 1.00 0.59 H new ATOM 0 HG LEU A 22 -11.540 -3.919 -2.470 1.00 1.28 H new ATOM 0 HD11 LEU A 22 -12.309 -2.214 -4.109 1.00 1.60 H new ATOM 0 HD12 LEU A 22 -11.166 -1.500 -2.948 1.00 1.60 H new ATOM 0 HD13 LEU A 22 -10.622 -1.914 -4.590 1.00 1.60 H new ATOM 0 HD21 LEU A 22 -12.058 -4.618 -4.791 1.00 2.28 H new ATOM 0 HD22 LEU A 22 -10.378 -4.277 -5.273 1.00 2.28 H new ATOM 0 HD23 LEU A 22 -10.725 -5.590 -4.122 1.00 2.28 H new ATOM 339 N VAL A 23 -6.663 -4.880 -1.736 1.00 0.23 N ATOM 340 CA VAL A 23 -5.522 -4.716 -0.788 1.00 0.14 C ATOM 341 C VAL A 23 -4.583 -3.643 -1.351 1.00 0.18 C ATOM 342 O VAL A 23 -3.726 -3.929 -2.164 1.00 0.33 O ATOM 343 CB VAL A 23 -4.783 -6.067 -0.667 1.00 0.23 C ATOM 344 CG1 VAL A 23 -4.054 -6.176 0.684 1.00 0.22 C ATOM 345 CG2 VAL A 23 -5.801 -7.207 -0.763 1.00 0.28 C ATOM 0 H VAL A 23 -6.400 -5.043 -2.708 1.00 0.23 H new ATOM 0 HA VAL A 23 -5.871 -4.412 0.199 1.00 0.14 H new ATOM 0 HB VAL A 23 -4.051 -6.132 -1.472 1.00 0.23 H new ATOM 0 HG11 VAL A 23 -3.542 -7.136 0.744 1.00 0.22 H new ATOM 0 HG12 VAL A 23 -3.326 -5.370 0.770 1.00 0.22 H new ATOM 0 HG13 VAL A 23 -4.778 -6.099 1.495 1.00 0.22 H new ATOM 0 HG21 VAL A 23 -5.285 -8.163 -0.678 1.00 0.28 H new ATOM 0 HG22 VAL A 23 -6.528 -7.114 0.044 1.00 0.28 H new ATOM 0 HG23 VAL A 23 -6.315 -7.156 -1.723 1.00 0.28 H new ATOM 355 N VAL A 24 -4.764 -2.424 -0.906 1.00 0.14 N ATOM 356 CA VAL A 24 -3.912 -1.317 -1.445 1.00 0.21 C ATOM 357 C VAL A 24 -2.648 -1.125 -0.599 1.00 0.25 C ATOM 358 O VAL A 24 -2.716 -1.008 0.607 1.00 0.31 O ATOM 359 CB VAL A 24 -4.725 -0.028 -1.452 1.00 0.21 C ATOM 360 CG1 VAL A 24 -3.867 1.096 -2.022 1.00 0.27 C ATOM 361 CG2 VAL A 24 -5.960 -0.216 -2.335 1.00 0.17 C ATOM 0 H VAL A 24 -5.452 -2.149 -0.205 1.00 0.14 H new ATOM 0 HA VAL A 24 -3.602 -1.576 -2.457 1.00 0.21 H new ATOM 0 HB VAL A 24 -5.035 0.220 -0.437 1.00 0.21 H new ATOM 0 HG11 VAL A 24 -4.441 2.023 -2.031 1.00 0.27 H new ATOM 0 HG12 VAL A 24 -2.979 1.225 -1.404 1.00 0.27 H new ATOM 0 HG13 VAL A 24 -3.567 0.845 -3.039 1.00 0.27 H new ATOM 0 HG21 VAL A 24 -6.545 0.704 -2.343 1.00 0.17 H new ATOM 0 HG22 VAL A 24 -5.648 -0.456 -3.351 1.00 0.17 H new ATOM 0 HG23 VAL A 24 -6.569 -1.030 -1.941 1.00 0.17 H new ATOM 371 N VAL A 25 -1.520 -1.073 -1.266 1.00 0.21 N ATOM 372 CA VAL A 25 -0.230 -0.906 -0.538 1.00 0.23 C ATOM 373 C VAL A 25 0.312 0.511 -0.700 1.00 0.27 C ATOM 374 O VAL A 25 -0.005 1.197 -1.651 1.00 0.43 O ATOM 375 CB VAL A 25 0.778 -1.881 -1.129 1.00 0.26 C ATOM 376 CG1 VAL A 25 1.774 -2.321 -0.053 1.00 0.53 C ATOM 377 CG2 VAL A 25 0.036 -3.098 -1.660 1.00 0.81 C ATOM 0 H VAL A 25 -1.440 -1.139 -2.281 1.00 0.21 H new ATOM 0 HA VAL A 25 -0.394 -1.096 0.523 1.00 0.23 H new ATOM 0 HB VAL A 25 1.323 -1.394 -1.938 1.00 0.26 H new ATOM 0 HG11 VAL A 25 2.492 -3.019 -0.485 1.00 0.53 H new ATOM 0 HG12 VAL A 25 2.302 -1.449 0.332 1.00 0.53 H new ATOM 0 HG13 VAL A 25 1.238 -2.809 0.761 1.00 0.53 H new ATOM 0 HG21 VAL A 25 0.750 -3.803 -2.086 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -0.506 -3.578 -0.845 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -0.669 -2.787 -2.430 1.00 0.81 H new ATOM 387 N ASP A 26 1.126 0.910 0.242 1.00 0.14 N ATOM 388 CA ASP A 26 1.738 2.268 0.178 1.00 0.17 C ATOM 389 C ASP A 26 3.260 2.136 0.244 1.00 0.16 C ATOM 390 O ASP A 26 3.847 2.171 1.308 1.00 0.15 O ATOM 391 CB ASP A 26 1.250 3.097 1.362 1.00 0.16 C ATOM 392 CG ASP A 26 2.025 4.416 1.410 1.00 0.25 C ATOM 393 OD1 ASP A 26 2.047 5.069 0.379 1.00 0.74 O ATOM 394 OD2 ASP A 26 2.552 4.695 2.474 1.00 1.27 O ATOM 0 H ASP A 26 1.393 0.353 1.053 1.00 0.14 H new ATOM 0 HA ASP A 26 1.452 2.758 -0.753 1.00 0.17 H new ATOM 0 HB2 ASP A 26 0.182 3.293 1.268 1.00 0.16 H new ATOM 0 HB3 ASP A 26 1.392 2.544 2.291 1.00 0.16 H new ATOM 399 N PHE A 27 3.861 1.972 -0.895 1.00 0.17 N ATOM 400 CA PHE A 27 5.341 1.830 -0.931 1.00 0.16 C ATOM 401 C PHE A 27 6.007 3.193 -0.729 1.00 0.16 C ATOM 402 O PHE A 27 6.135 3.969 -1.654 1.00 0.20 O ATOM 403 CB PHE A 27 5.738 1.249 -2.279 1.00 0.18 C ATOM 404 CG PHE A 27 5.386 -0.240 -2.300 1.00 0.19 C ATOM 405 CD1 PHE A 27 6.261 -1.171 -1.770 1.00 0.17 C ATOM 406 CD2 PHE A 27 4.188 -0.680 -2.847 1.00 0.21 C ATOM 407 CE1 PHE A 27 5.953 -2.514 -1.790 1.00 0.18 C ATOM 408 CE2 PHE A 27 3.888 -2.028 -2.863 1.00 0.22 C ATOM 409 CZ PHE A 27 4.768 -2.941 -2.335 1.00 0.20 C ATOM 0 H PHE A 27 3.395 1.930 -1.802 1.00 0.17 H new ATOM 0 HA PHE A 27 5.669 1.167 -0.130 1.00 0.16 H new ATOM 0 HB2 PHE A 27 5.218 1.771 -3.082 1.00 0.18 H new ATOM 0 HB3 PHE A 27 6.806 1.386 -2.449 1.00 0.18 H new ATOM 0 HD1 PHE A 27 7.194 -0.842 -1.337 1.00 0.17 H new ATOM 0 HD2 PHE A 27 3.490 0.033 -3.260 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.645 -3.232 -1.376 1.00 0.18 H new ATOM 0 HE2 PHE A 27 2.957 -2.366 -3.293 1.00 0.22 H new ATOM 0 HZ PHE A 27 4.528 -3.994 -2.349 1.00 0.20 H new ATOM 419 N SER A 28 6.417 3.452 0.483 1.00 0.13 N ATOM 420 CA SER A 28 7.073 4.759 0.770 1.00 0.15 C ATOM 421 C SER A 28 8.166 4.580 1.828 1.00 0.11 C ATOM 422 O SER A 28 8.377 3.492 2.328 1.00 0.13 O ATOM 423 CB SER A 28 6.021 5.741 1.285 1.00 0.19 C ATOM 424 OG SER A 28 5.855 5.388 2.651 1.00 1.04 O ATOM 0 H SER A 28 6.327 2.822 1.280 1.00 0.13 H new ATOM 0 HA SER A 28 7.527 5.143 -0.143 1.00 0.15 H new ATOM 0 HB2 SER A 28 6.354 6.773 1.178 1.00 0.19 H new ATOM 0 HB3 SER A 28 5.086 5.649 0.733 1.00 0.19 H new ATOM 0 HG SER A 28 5.189 5.978 3.063 1.00 1.04 H new ATOM 430 N ALA A 29 8.837 5.653 2.147 1.00 0.15 N ATOM 431 CA ALA A 29 9.919 5.569 3.172 1.00 0.17 C ATOM 432 C ALA A 29 9.393 6.033 4.535 1.00 0.21 C ATOM 433 O ALA A 29 8.875 7.125 4.664 1.00 0.36 O ATOM 434 CB ALA A 29 11.080 6.462 2.744 1.00 0.18 C ATOM 0 H ALA A 29 8.685 6.579 1.746 1.00 0.15 H new ATOM 0 HA ALA A 29 10.255 4.536 3.257 1.00 0.17 H new ATOM 0 HB1 ALA A 29 11.875 6.406 3.488 1.00 0.18 H new ATOM 0 HB2 ALA A 29 11.461 6.126 1.780 1.00 0.18 H new ATOM 0 HB3 ALA A 29 10.734 7.492 2.659 1.00 0.18 H new ATOM 440 N THR A 30 9.542 5.194 5.526 1.00 0.19 N ATOM 441 CA THR A 30 9.052 5.574 6.886 1.00 0.22 C ATOM 442 C THR A 30 10.107 6.417 7.607 1.00 0.34 C ATOM 443 O THR A 30 9.802 7.441 8.186 1.00 0.27 O ATOM 444 CB THR A 30 8.772 4.301 7.694 1.00 0.23 C ATOM 445 OG1 THR A 30 8.254 4.767 8.936 1.00 0.31 O ATOM 446 CG2 THR A 30 10.061 3.564 8.047 1.00 0.50 C ATOM 0 H THR A 30 9.976 4.273 5.456 1.00 0.19 H new ATOM 0 HA THR A 30 8.137 6.159 6.790 1.00 0.22 H new ATOM 0 HB THR A 30 8.119 3.637 7.127 1.00 0.23 H new ATOM 0 HG1 THR A 30 8.048 4.002 9.512 1.00 0.31 H new ATOM 0 HG21 THR A 30 9.822 2.668 8.619 1.00 0.50 H new ATOM 0 HG22 THR A 30 10.581 3.282 7.132 1.00 0.50 H new ATOM 0 HG23 THR A 30 10.701 4.215 8.643 1.00 0.50 H new ATOM 454 N TRP A 31 11.323 5.962 7.553 1.00 0.65 N ATOM 455 CA TRP A 31 12.428 6.708 8.221 1.00 0.79 C ATOM 456 C TRP A 31 12.437 8.167 7.760 1.00 0.83 C ATOM 457 O TRP A 31 12.580 9.074 8.557 1.00 0.97 O ATOM 458 CB TRP A 31 13.743 6.059 7.824 1.00 0.78 C ATOM 459 CG TRP A 31 13.809 6.019 6.298 1.00 0.61 C ATOM 460 CD1 TRP A 31 13.283 5.048 5.560 1.00 0.46 C ATOM 461 CD2 TRP A 31 14.350 6.954 5.532 1.00 0.60 C ATOM 462 NE1 TRP A 31 13.528 5.435 4.302 1.00 0.35 N ATOM 463 CE2 TRP A 31 14.197 6.629 4.195 1.00 0.43 C ATOM 464 CE3 TRP A 31 14.992 8.137 5.872 1.00 0.74 C ATOM 465 CZ2 TRP A 31 14.675 7.468 3.217 1.00 0.43 C ATOM 466 CZ3 TRP A 31 15.470 8.973 4.885 1.00 0.73 C ATOM 467 CH2 TRP A 31 15.311 8.639 3.559 1.00 0.58 C ATOM 0 H TRP A 31 11.604 5.105 7.076 1.00 0.65 H new ATOM 0 HA TRP A 31 12.288 6.680 9.302 1.00 0.79 H new ATOM 0 HB2 TRP A 31 14.584 6.624 8.227 1.00 0.78 H new ATOM 0 HB3 TRP A 31 13.810 5.052 8.235 1.00 0.78 H new ATOM 0 HD1 TRP A 31 12.776 4.155 5.896 1.00 0.46 H new ATOM 0 HE1 TRP A 31 13.241 4.888 3.490 1.00 0.35 H new ATOM 0 HE3 TRP A 31 15.117 8.403 6.911 1.00 0.74 H new ATOM 0 HZ2 TRP A 31 14.551 7.207 2.176 1.00 0.43 H new ATOM 0 HZ3 TRP A 31 15.970 9.892 5.153 1.00 0.73 H new ATOM 0 HH2 TRP A 31 15.685 9.296 2.788 1.00 0.58 H new ATOM 478 N CYS A 32 12.285 8.360 6.477 1.00 0.72 N ATOM 479 CA CYS A 32 12.292 9.748 5.943 1.00 0.79 C ATOM 480 C CYS A 32 11.189 10.577 6.606 1.00 0.84 C ATOM 481 O CYS A 32 10.262 10.039 7.179 1.00 0.75 O ATOM 482 CB CYS A 32 12.063 9.712 4.436 1.00 0.72 C ATOM 483 SG CYS A 32 12.436 11.220 3.508 1.00 1.12 S ATOM 0 H CYS A 32 12.158 7.623 5.783 1.00 0.72 H new ATOM 0 HA CYS A 32 13.257 10.206 6.159 1.00 0.79 H new ATOM 0 HB2 CYS A 32 12.664 8.903 4.022 1.00 0.72 H new ATOM 0 HB3 CYS A 32 11.018 9.456 4.259 1.00 0.72 H new ATOM 0 HG CYS A 32 11.481 11.454 2.658 1.00 1.12 H new ATOM 489 N GLY A 33 11.317 11.869 6.516 1.00 1.02 N ATOM 490 CA GLY A 33 10.292 12.756 7.132 1.00 1.07 C ATOM 491 C GLY A 33 9.216 13.166 6.108 1.00 1.02 C ATOM 492 O GLY A 33 8.063 12.811 6.245 1.00 0.91 O ATOM 0 H GLY A 33 12.084 12.349 6.045 1.00 1.02 H new ATOM 0 HA2 GLY A 33 9.822 12.243 7.971 1.00 1.07 H new ATOM 0 HA3 GLY A 33 10.774 13.648 7.533 1.00 1.07 H new ATOM 496 N PRO A 34 9.625 13.911 5.093 1.00 1.10 N ATOM 497 CA PRO A 34 8.694 14.383 4.055 1.00 1.11 C ATOM 498 C PRO A 34 7.866 13.228 3.477 1.00 0.95 C ATOM 499 O PRO A 34 6.694 13.388 3.197 1.00 1.04 O ATOM 500 CB PRO A 34 9.582 15.016 2.978 1.00 1.23 C ATOM 501 CG PRO A 34 11.027 15.091 3.559 1.00 1.30 C ATOM 502 CD PRO A 34 11.027 14.322 4.895 1.00 1.22 C ATOM 0 HA PRO A 34 7.971 15.093 4.457 1.00 1.11 H new ATOM 0 HB2 PRO A 34 9.564 14.420 2.066 1.00 1.23 H new ATOM 0 HB3 PRO A 34 9.220 16.010 2.716 1.00 1.23 H new ATOM 0 HG2 PRO A 34 11.743 14.653 2.864 1.00 1.30 H new ATOM 0 HG3 PRO A 34 11.325 16.128 3.713 1.00 1.30 H new ATOM 0 HD2 PRO A 34 11.690 13.458 4.854 1.00 1.22 H new ATOM 0 HD3 PRO A 34 11.374 14.952 5.714 1.00 1.22 H new ATOM 510 N CYS A 35 8.482 12.091 3.308 1.00 0.75 N ATOM 511 CA CYS A 35 7.715 10.935 2.759 1.00 0.61 C ATOM 512 C CYS A 35 6.650 10.493 3.768 1.00 0.57 C ATOM 513 O CYS A 35 5.606 10.002 3.390 1.00 0.55 O ATOM 514 CB CYS A 35 8.668 9.774 2.471 1.00 0.46 C ATOM 515 SG CYS A 35 10.252 10.170 1.690 1.00 0.92 S ATOM 0 H CYS A 35 9.463 11.912 3.521 1.00 0.75 H new ATOM 0 HA CYS A 35 7.226 11.237 1.833 1.00 0.61 H new ATOM 0 HB2 CYS A 35 8.875 9.266 3.413 1.00 0.46 H new ATOM 0 HB3 CYS A 35 8.147 9.061 1.832 1.00 0.46 H new ATOM 0 HG CYS A 35 11.203 10.092 2.573 1.00 0.92 H new ATOM 521 N LYS A 36 6.936 10.680 5.037 1.00 0.56 N ATOM 522 CA LYS A 36 5.944 10.277 6.072 1.00 0.52 C ATOM 523 C LYS A 36 5.074 11.480 6.472 1.00 0.67 C ATOM 524 O LYS A 36 4.291 11.403 7.393 1.00 0.86 O ATOM 525 CB LYS A 36 6.681 9.735 7.303 1.00 0.53 C ATOM 526 CG LYS A 36 5.671 9.097 8.269 1.00 0.54 C ATOM 527 CD LYS A 36 6.394 8.100 9.172 1.00 1.14 C ATOM 528 CE LYS A 36 7.511 8.824 9.926 1.00 1.19 C ATOM 529 NZ LYS A 36 7.020 10.128 10.454 1.00 0.89 N ATOM 0 H LYS A 36 7.801 11.088 5.391 1.00 0.56 H new ATOM 0 HA LYS A 36 5.299 9.500 5.663 1.00 0.52 H new ATOM 0 HB2 LYS A 36 7.424 8.998 6.999 1.00 0.53 H new ATOM 0 HB3 LYS A 36 7.218 10.542 7.802 1.00 0.53 H new ATOM 0 HG2 LYS A 36 5.190 9.868 8.871 1.00 0.54 H new ATOM 0 HG3 LYS A 36 4.884 8.593 7.709 1.00 0.54 H new ATOM 0 HD2 LYS A 36 5.692 7.654 9.877 1.00 1.14 H new ATOM 0 HD3 LYS A 36 6.808 7.286 8.577 1.00 1.14 H new ATOM 0 HE2 LYS A 36 7.866 8.202 10.748 1.00 1.19 H new ATOM 0 HE3 LYS A 36 8.359 8.989 9.262 1.00 1.19 H new ATOM 0 HZ1 LYS A 36 7.579 10.397 11.289 1.00 0.89 H new ATOM 0 HZ2 LYS A 36 7.119 10.859 9.721 1.00 0.89 H new ATOM 0 HZ3 LYS A 36 6.019 10.039 10.722 1.00 0.89 H new ATOM 543 N MET A 37 5.239 12.575 5.787 1.00 0.61 N ATOM 544 CA MET A 37 4.389 13.756 6.111 1.00 0.74 C ATOM 545 C MET A 37 3.054 13.590 5.393 1.00 0.70 C ATOM 546 O MET A 37 2.082 14.256 5.692 1.00 0.69 O ATOM 547 CB MET A 37 5.082 15.033 5.643 1.00 0.95 C ATOM 548 CG MET A 37 4.563 16.217 6.463 1.00 1.12 C ATOM 549 SD MET A 37 5.191 17.861 6.038 1.00 1.41 S ATOM 550 CE MET A 37 3.747 18.422 5.103 1.00 0.78 C ATOM 0 H MET A 37 5.911 12.705 5.031 1.00 0.61 H new ATOM 0 HA MET A 37 4.228 13.826 7.187 1.00 0.74 H new ATOM 0 HB2 MET A 37 6.162 14.939 5.761 1.00 0.95 H new ATOM 0 HB3 MET A 37 4.890 15.198 4.583 1.00 0.95 H new ATOM 0 HG2 MET A 37 3.477 16.238 6.375 1.00 1.12 H new ATOM 0 HG3 MET A 37 4.794 16.028 7.511 1.00 1.12 H new ATOM 0 HE1 MET A 37 3.920 19.435 4.739 1.00 0.78 H new ATOM 0 HE2 MET A 37 3.580 17.756 4.256 1.00 0.78 H new ATOM 0 HE3 MET A 37 2.869 18.414 5.749 1.00 0.78 H new ATOM 560 N ILE A 38 3.055 12.688 4.453 1.00 0.70 N ATOM 561 CA ILE A 38 1.812 12.401 3.682 1.00 0.67 C ATOM 562 C ILE A 38 1.202 11.080 4.176 1.00 0.56 C ATOM 563 O ILE A 38 0.328 10.518 3.551 1.00 0.56 O ATOM 564 CB ILE A 38 2.173 12.284 2.202 1.00 0.79 C ATOM 565 CG1 ILE A 38 2.705 13.643 1.712 1.00 1.06 C ATOM 566 CG2 ILE A 38 0.922 11.907 1.414 1.00 0.79 C ATOM 567 CD1 ILE A 38 3.275 13.508 0.289 1.00 1.32 C ATOM 0 H ILE A 38 3.867 12.133 4.183 1.00 0.70 H new ATOM 0 HA ILE A 38 1.087 13.202 3.822 1.00 0.67 H new ATOM 0 HB ILE A 38 2.936 11.519 2.058 1.00 0.79 H new ATOM 0 HG12 ILE A 38 1.903 14.381 1.722 1.00 1.06 H new ATOM 0 HG13 ILE A 38 3.479 14.004 2.389 1.00 1.06 H new ATOM 0 HG21 ILE A 38 1.170 11.821 0.356 1.00 0.79 H new ATOM 0 HG22 ILE A 38 0.538 10.953 1.775 1.00 0.79 H new ATOM 0 HG23 ILE A 38 0.162 12.677 1.547 1.00 0.79 H new ATOM 0 HD11 ILE A 38 3.648 14.476 -0.047 1.00 1.32 H new ATOM 0 HD12 ILE A 38 4.091 12.785 0.291 1.00 1.32 H new ATOM 0 HD13 ILE A 38 2.490 13.168 -0.387 1.00 1.32 H new ATOM 579 N LYS A 39 1.693 10.619 5.291 1.00 0.54 N ATOM 580 CA LYS A 39 1.168 9.349 5.868 1.00 0.53 C ATOM 581 C LYS A 39 -0.257 9.535 6.454 1.00 0.53 C ATOM 582 O LYS A 39 -1.094 8.670 6.298 1.00 0.58 O ATOM 583 CB LYS A 39 2.153 8.847 6.955 1.00 0.60 C ATOM 584 CG LYS A 39 1.409 8.441 8.244 1.00 1.21 C ATOM 585 CD LYS A 39 2.415 7.841 9.230 1.00 1.01 C ATOM 586 CE LYS A 39 1.721 7.613 10.575 1.00 2.47 C ATOM 587 NZ LYS A 39 2.116 6.297 11.151 1.00 2.20 N ATOM 0 H LYS A 39 2.435 11.066 5.829 1.00 0.54 H new ATOM 0 HA LYS A 39 1.088 8.606 5.075 1.00 0.53 H new ATOM 0 HB2 LYS A 39 2.715 7.994 6.573 1.00 0.60 H new ATOM 0 HB3 LYS A 39 2.877 9.630 7.182 1.00 0.60 H new ATOM 0 HG2 LYS A 39 0.920 9.309 8.686 1.00 1.21 H new ATOM 0 HG3 LYS A 39 0.627 7.717 8.016 1.00 1.21 H new ATOM 0 HD2 LYS A 39 2.805 6.899 8.843 1.00 1.01 H new ATOM 0 HD3 LYS A 39 3.266 8.511 9.354 1.00 1.01 H new ATOM 0 HE2 LYS A 39 1.985 8.413 11.267 1.00 2.47 H new ATOM 0 HE3 LYS A 39 0.640 7.649 10.443 1.00 2.47 H new ATOM 0 HZ1 LYS A 39 1.371 5.963 11.795 1.00 2.20 H new ATOM 0 HZ2 LYS A 39 2.245 5.607 10.384 1.00 2.20 H new ATOM 0 HZ3 LYS A 39 3.007 6.402 11.676 1.00 2.20 H new ATOM 601 N PRO A 40 -0.514 10.658 7.123 1.00 0.48 N ATOM 602 CA PRO A 40 -1.835 10.896 7.720 1.00 0.50 C ATOM 603 C PRO A 40 -2.909 11.004 6.631 1.00 0.43 C ATOM 604 O PRO A 40 -4.058 11.284 6.912 1.00 0.40 O ATOM 605 CB PRO A 40 -1.701 12.216 8.488 1.00 0.61 C ATOM 606 CG PRO A 40 -0.219 12.678 8.356 1.00 0.60 C ATOM 607 CD PRO A 40 0.457 11.751 7.333 1.00 0.45 C ATOM 0 HA PRO A 40 -2.139 10.079 8.374 1.00 0.50 H new ATOM 0 HB2 PRO A 40 -2.376 12.968 8.080 1.00 0.61 H new ATOM 0 HB3 PRO A 40 -1.970 12.081 9.536 1.00 0.61 H new ATOM 0 HG2 PRO A 40 -0.167 13.716 8.027 1.00 0.60 H new ATOM 0 HG3 PRO A 40 0.288 12.623 9.319 1.00 0.60 H new ATOM 0 HD2 PRO A 40 0.670 12.276 6.402 1.00 0.45 H new ATOM 0 HD3 PRO A 40 1.407 11.371 7.709 1.00 0.45 H new ATOM 615 N PHE A 41 -2.505 10.776 5.407 1.00 0.46 N ATOM 616 CA PHE A 41 -3.478 10.846 4.277 1.00 0.46 C ATOM 617 C PHE A 41 -3.879 9.429 3.846 1.00 0.37 C ATOM 618 O PHE A 41 -5.048 9.117 3.743 1.00 0.38 O ATOM 619 CB PHE A 41 -2.828 11.587 3.110 1.00 0.58 C ATOM 620 CG PHE A 41 -2.787 13.080 3.433 1.00 0.66 C ATOM 621 CD1 PHE A 41 -1.811 13.592 4.269 1.00 0.68 C ATOM 622 CD2 PHE A 41 -3.727 13.939 2.892 1.00 0.78 C ATOM 623 CE1 PHE A 41 -1.777 14.939 4.560 1.00 0.78 C ATOM 624 CE2 PHE A 41 -3.692 15.287 3.185 1.00 0.85 C ATOM 625 CZ PHE A 41 -2.717 15.786 4.019 1.00 0.84 C ATOM 0 H PHE A 41 -1.547 10.545 5.143 1.00 0.46 H new ATOM 0 HA PHE A 41 -4.375 11.379 4.593 1.00 0.46 H new ATOM 0 HB2 PHE A 41 -1.819 11.210 2.939 1.00 0.58 H new ATOM 0 HB3 PHE A 41 -3.392 11.415 2.193 1.00 0.58 H new ATOM 0 HD1 PHE A 41 -1.071 12.932 4.697 1.00 0.68 H new ATOM 0 HD2 PHE A 41 -4.493 13.552 2.236 1.00 0.78 H new ATOM 0 HE1 PHE A 41 -1.011 15.330 5.214 1.00 0.78 H new ATOM 0 HE2 PHE A 41 -4.430 15.951 2.760 1.00 0.85 H new ATOM 0 HZ PHE A 41 -2.690 16.841 4.248 1.00 0.84 H new ATOM 635 N PHE A 42 -2.896 8.602 3.605 1.00 0.33 N ATOM 636 CA PHE A 42 -3.205 7.197 3.199 1.00 0.30 C ATOM 637 C PHE A 42 -3.425 6.346 4.447 1.00 0.31 C ATOM 638 O PHE A 42 -4.114 5.346 4.414 1.00 0.35 O ATOM 639 CB PHE A 42 -2.029 6.623 2.411 1.00 0.32 C ATOM 640 CG PHE A 42 -2.205 5.105 2.296 1.00 0.19 C ATOM 641 CD1 PHE A 42 -3.081 4.571 1.368 1.00 0.19 C ATOM 642 CD2 PHE A 42 -1.491 4.244 3.118 1.00 0.09 C ATOM 643 CE1 PHE A 42 -3.242 3.205 1.263 1.00 0.13 C ATOM 644 CE2 PHE A 42 -1.657 2.877 3.009 1.00 0.04 C ATOM 645 CZ PHE A 42 -2.531 2.359 2.083 1.00 0.10 C ATOM 0 H PHE A 42 -1.905 8.833 3.670 1.00 0.33 H new ATOM 0 HA PHE A 42 -4.103 7.190 2.581 1.00 0.30 H new ATOM 0 HB2 PHE A 42 -1.983 7.074 1.420 1.00 0.32 H new ATOM 0 HB3 PHE A 42 -1.089 6.857 2.911 1.00 0.32 H new ATOM 0 HD1 PHE A 42 -3.643 5.228 0.721 1.00 0.19 H new ATOM 0 HD2 PHE A 42 -0.802 4.645 3.847 1.00 0.09 H new ATOM 0 HE1 PHE A 42 -3.928 2.798 0.535 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.099 2.214 3.653 1.00 0.04 H new ATOM 0 HZ PHE A 42 -2.659 1.290 1.999 1.00 0.10 H new ATOM 655 N HIS A 43 -2.824 6.767 5.518 1.00 0.32 N ATOM 656 CA HIS A 43 -2.954 6.011 6.791 1.00 0.35 C ATOM 657 C HIS A 43 -4.224 6.441 7.531 1.00 0.30 C ATOM 658 O HIS A 43 -4.582 5.871 8.543 1.00 0.27 O ATOM 659 CB HIS A 43 -1.725 6.307 7.642 1.00 0.50 C ATOM 660 CG HIS A 43 -1.597 5.281 8.767 1.00 0.56 C ATOM 661 ND1 HIS A 43 -2.511 4.511 9.149 1.00 0.49 N ATOM 662 CD2 HIS A 43 -0.507 4.986 9.571 1.00 0.71 C ATOM 663 CE1 HIS A 43 -2.117 3.766 10.101 1.00 0.58 C ATOM 664 NE2 HIS A 43 -0.849 4.000 10.439 1.00 0.72 N ATOM 0 H HIS A 43 -2.245 7.606 5.569 1.00 0.32 H new ATOM 0 HA HIS A 43 -3.024 4.942 6.590 1.00 0.35 H new ATOM 0 HB2 HIS A 43 -0.830 6.287 7.020 1.00 0.50 H new ATOM 0 HB3 HIS A 43 -1.799 7.310 8.062 1.00 0.50 H new ATOM 0 HD1 HIS A 43 -3.448 4.486 8.748 1.00 0.49 H new ATOM 0 HD2 HIS A 43 0.460 5.464 9.516 1.00 0.71 H new ATOM 0 HE1 HIS A 43 -2.740 3.026 10.582 1.00 0.58 H new ATOM 672 N SER A 44 -4.874 7.445 7.009 1.00 0.35 N ATOM 673 CA SER A 44 -6.129 7.927 7.658 1.00 0.35 C ATOM 674 C SER A 44 -7.333 7.162 7.101 1.00 0.33 C ATOM 675 O SER A 44 -8.428 7.258 7.615 1.00 0.40 O ATOM 676 CB SER A 44 -6.299 9.419 7.375 1.00 0.42 C ATOM 677 OG SER A 44 -5.736 9.592 6.084 1.00 1.81 O ATOM 0 H SER A 44 -4.594 7.950 6.168 1.00 0.35 H new ATOM 0 HA SER A 44 -6.067 7.759 8.733 1.00 0.35 H new ATOM 0 HB2 SER A 44 -7.349 9.712 7.395 1.00 0.42 H new ATOM 0 HB3 SER A 44 -5.785 10.027 8.119 1.00 0.42 H new ATOM 0 HG SER A 44 -5.306 10.471 6.030 1.00 1.81 H new ATOM 683 N LEU A 45 -7.097 6.417 6.057 1.00 0.27 N ATOM 684 CA LEU A 45 -8.210 5.631 5.449 1.00 0.28 C ATOM 685 C LEU A 45 -8.497 4.386 6.294 1.00 0.28 C ATOM 686 O LEU A 45 -9.473 3.696 6.080 1.00 0.33 O ATOM 687 CB LEU A 45 -7.809 5.204 4.037 1.00 0.26 C ATOM 688 CG LEU A 45 -7.358 6.436 3.245 1.00 0.28 C ATOM 689 CD1 LEU A 45 -6.915 6.000 1.847 1.00 0.31 C ATOM 690 CD2 LEU A 45 -8.527 7.415 3.118 1.00 0.31 C ATOM 0 H LEU A 45 -6.190 6.318 5.601 1.00 0.27 H new ATOM 0 HA LEU A 45 -9.107 6.249 5.410 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -7.004 4.471 4.081 1.00 0.26 H new ATOM 0 HB3 LEU A 45 -8.650 4.724 3.537 1.00 0.26 H new ATOM 0 HG LEU A 45 -6.530 6.920 3.762 1.00 0.28 H new ATOM 0 HD11 LEU A 45 -6.593 6.873 1.279 1.00 0.31 H new ATOM 0 HD12 LEU A 45 -6.087 5.296 1.931 1.00 0.31 H new ATOM 0 HD13 LEU A 45 -7.749 5.521 1.334 1.00 0.31 H new ATOM 0 HD21 LEU A 45 -8.208 8.292 2.555 1.00 0.31 H new ATOM 0 HD22 LEU A 45 -9.353 6.930 2.597 1.00 0.31 H new ATOM 0 HD23 LEU A 45 -8.855 7.721 4.111 1.00 0.31 H new ATOM 702 N SER A 46 -7.634 4.128 7.240 1.00 0.25 N ATOM 703 CA SER A 46 -7.833 2.933 8.110 1.00 0.28 C ATOM 704 C SER A 46 -9.153 3.049 8.883 1.00 0.29 C ATOM 705 O SER A 46 -9.803 2.061 9.157 1.00 0.37 O ATOM 706 CB SER A 46 -6.670 2.836 9.098 1.00 0.32 C ATOM 707 OG SER A 46 -6.071 1.582 8.807 1.00 1.45 O ATOM 0 H SER A 46 -6.807 4.688 7.447 1.00 0.25 H new ATOM 0 HA SER A 46 -7.870 2.039 7.487 1.00 0.28 H new ATOM 0 HB2 SER A 46 -5.964 3.656 8.964 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.019 2.881 10.130 1.00 0.32 H new ATOM 0 HG SER A 46 -6.253 0.955 9.538 1.00 1.45 H new ATOM 713 N GLU A 47 -9.520 4.259 9.216 1.00 0.32 N ATOM 714 CA GLU A 47 -10.791 4.457 9.975 1.00 0.45 C ATOM 715 C GLU A 47 -11.965 4.677 9.013 1.00 0.41 C ATOM 716 O GLU A 47 -13.090 4.326 9.312 1.00 0.66 O ATOM 717 CB GLU A 47 -10.645 5.677 10.884 1.00 0.60 C ATOM 718 CG GLU A 47 -9.348 5.556 11.686 1.00 1.11 C ATOM 719 CD GLU A 47 -9.595 6.032 13.120 1.00 1.26 C ATOM 720 OE1 GLU A 47 -9.808 7.224 13.265 1.00 2.17 O ATOM 721 OE2 GLU A 47 -9.556 5.176 13.988 1.00 0.90 O ATOM 0 H GLU A 47 -9.002 5.110 8.998 1.00 0.32 H new ATOM 0 HA GLU A 47 -10.990 3.566 10.570 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -10.634 6.590 10.288 1.00 0.60 H new ATOM 0 HB3 GLU A 47 -11.498 5.747 11.559 1.00 0.60 H new ATOM 0 HG2 GLU A 47 -9.003 4.522 11.688 1.00 1.11 H new ATOM 0 HG3 GLU A 47 -8.563 6.153 11.222 1.00 1.11 H new ATOM 728 N LYS A 48 -11.680 5.254 7.877 1.00 0.26 N ATOM 729 CA LYS A 48 -12.772 5.506 6.891 1.00 0.21 C ATOM 730 C LYS A 48 -13.185 4.202 6.198 1.00 0.16 C ATOM 731 O LYS A 48 -14.304 3.751 6.336 1.00 0.13 O ATOM 732 CB LYS A 48 -12.283 6.503 5.846 1.00 0.23 C ATOM 733 CG LYS A 48 -13.411 7.487 5.529 1.00 0.22 C ATOM 734 CD LYS A 48 -13.488 8.547 6.632 1.00 0.98 C ATOM 735 CE LYS A 48 -14.957 8.861 6.924 1.00 1.67 C ATOM 736 NZ LYS A 48 -15.069 10.041 7.828 1.00 2.88 N ATOM 0 H LYS A 48 -10.750 5.559 7.590 1.00 0.26 H new ATOM 0 HA LYS A 48 -13.637 5.910 7.418 1.00 0.21 H new ATOM 0 HB2 LYS A 48 -11.409 7.039 6.217 1.00 0.23 H new ATOM 0 HB3 LYS A 48 -11.975 5.979 4.941 1.00 0.23 H new ATOM 0 HG2 LYS A 48 -13.233 7.963 4.564 1.00 0.22 H new ATOM 0 HG3 LYS A 48 -14.360 6.957 5.453 1.00 0.22 H new ATOM 0 HD2 LYS A 48 -12.994 8.187 7.534 1.00 0.98 H new ATOM 0 HD3 LYS A 48 -12.965 9.451 6.321 1.00 0.98 H new ATOM 0 HE2 LYS A 48 -15.485 9.059 5.991 1.00 1.67 H new ATOM 0 HE3 LYS A 48 -15.435 7.996 7.384 1.00 1.67 H new ATOM 0 HZ1 LYS A 48 -16.072 10.240 8.016 1.00 2.88 H new ATOM 0 HZ2 LYS A 48 -14.582 9.839 8.725 1.00 2.88 H new ATOM 0 HZ3 LYS A 48 -14.631 10.868 7.375 1.00 2.88 H new ATOM 750 N TYR A 49 -12.270 3.626 5.468 1.00 0.15 N ATOM 751 CA TYR A 49 -12.596 2.353 4.758 1.00 0.11 C ATOM 752 C TYR A 49 -12.283 1.146 5.649 1.00 0.11 C ATOM 753 O TYR A 49 -11.151 0.712 5.733 1.00 0.15 O ATOM 754 CB TYR A 49 -11.765 2.270 3.480 1.00 0.12 C ATOM 755 CG TYR A 49 -12.449 3.079 2.376 1.00 0.16 C ATOM 756 CD1 TYR A 49 -13.518 2.551 1.680 1.00 0.18 C ATOM 757 CD2 TYR A 49 -12.009 4.348 2.061 1.00 0.23 C ATOM 758 CE1 TYR A 49 -14.136 3.280 0.684 1.00 0.26 C ATOM 759 CE2 TYR A 49 -12.627 5.078 1.065 1.00 0.30 C ATOM 760 CZ TYR A 49 -13.695 4.549 0.370 1.00 0.31 C ATOM 761 OH TYR A 49 -14.311 5.278 -0.628 1.00 0.39 O ATOM 0 H TYR A 49 -11.321 3.975 5.332 1.00 0.15 H new ATOM 0 HA TYR A 49 -13.659 2.342 4.517 1.00 0.11 H new ATOM 0 HB2 TYR A 49 -10.761 2.655 3.660 1.00 0.12 H new ATOM 0 HB3 TYR A 49 -11.657 1.231 3.170 1.00 0.12 H new ATOM 0 HD1 TYR A 49 -13.874 1.559 1.917 1.00 0.18 H new ATOM 0 HD2 TYR A 49 -11.174 4.774 2.598 1.00 0.23 H new ATOM 0 HE1 TYR A 49 -14.971 2.854 0.147 1.00 0.26 H new ATOM 0 HE2 TYR A 49 -12.272 6.070 0.828 1.00 0.30 H new ATOM 0 HH TYR A 49 -13.872 6.150 -0.714 1.00 0.39 H new ATOM 771 N SER A 50 -13.293 0.634 6.295 1.00 0.08 N ATOM 772 CA SER A 50 -13.073 -0.547 7.182 1.00 0.09 C ATOM 773 C SER A 50 -13.386 -1.846 6.427 1.00 0.05 C ATOM 774 O SER A 50 -13.203 -2.929 6.946 1.00 0.15 O ATOM 775 CB SER A 50 -13.987 -0.436 8.401 1.00 0.20 C ATOM 776 OG SER A 50 -15.280 -0.733 7.893 1.00 0.20 O ATOM 0 H SER A 50 -14.253 0.976 6.250 1.00 0.08 H new ATOM 0 HA SER A 50 -12.030 -0.566 7.498 1.00 0.09 H new ATOM 0 HB2 SER A 50 -13.695 -1.137 9.183 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.950 0.562 8.838 1.00 0.20 H new ATOM 0 HG SER A 50 -15.936 -0.685 8.620 1.00 0.20 H new ATOM 782 N ASN A 51 -13.850 -1.705 5.215 1.00 0.04 N ATOM 783 CA ASN A 51 -14.186 -2.919 4.409 1.00 0.15 C ATOM 784 C ASN A 51 -13.043 -3.257 3.446 1.00 0.22 C ATOM 785 O ASN A 51 -13.186 -4.104 2.586 1.00 0.33 O ATOM 786 CB ASN A 51 -15.455 -2.644 3.605 1.00 0.17 C ATOM 787 CG ASN A 51 -15.966 -3.955 3.005 1.00 0.27 C ATOM 788 OD1 ASN A 51 -15.942 -4.154 1.806 1.00 0.92 O ATOM 789 ND2 ASN A 51 -16.435 -4.874 3.803 1.00 1.42 N ATOM 0 H ASN A 51 -14.011 -0.812 4.749 1.00 0.04 H new ATOM 0 HA ASN A 51 -14.339 -3.762 5.082 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -16.218 -2.203 4.247 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -15.249 -1.924 2.813 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.779 -5.755 3.420 1.00 1.42 H new ATOM 0 HD22 ASN A 51 -16.457 -4.712 4.810 1.00 1.42 H new ATOM 796 N VAL A 52 -11.932 -2.586 3.615 1.00 0.23 N ATOM 797 CA VAL A 52 -10.764 -2.847 2.717 1.00 0.33 C ATOM 798 C VAL A 52 -9.481 -2.957 3.547 1.00 0.26 C ATOM 799 O VAL A 52 -9.407 -2.438 4.643 1.00 0.25 O ATOM 800 CB VAL A 52 -10.636 -1.696 1.718 1.00 0.44 C ATOM 801 CG1 VAL A 52 -9.933 -2.203 0.462 1.00 0.93 C ATOM 802 CG2 VAL A 52 -12.032 -1.190 1.343 1.00 0.39 C ATOM 0 H VAL A 52 -11.782 -1.874 4.330 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.918 -3.784 2.182 1.00 0.33 H new ATOM 0 HB VAL A 52 -10.061 -0.885 2.164 1.00 0.44 H new ATOM 0 HG11 VAL A 52 -9.838 -1.388 -0.256 1.00 0.93 H new ATOM 0 HG12 VAL A 52 -8.942 -2.573 0.724 1.00 0.93 H new ATOM 0 HG13 VAL A 52 -10.517 -3.010 0.019 1.00 0.93 H new ATOM 0 HG21 VAL A 52 -11.943 -0.370 0.631 1.00 0.39 H new ATOM 0 HG22 VAL A 52 -12.604 -2.001 0.892 1.00 0.39 H new ATOM 0 HG23 VAL A 52 -12.544 -0.839 2.239 1.00 0.39 H new ATOM 812 N ILE A 53 -8.495 -3.628 3.002 1.00 0.21 N ATOM 813 CA ILE A 53 -7.215 -3.791 3.756 1.00 0.16 C ATOM 814 C ILE A 53 -6.157 -2.807 3.251 1.00 0.11 C ATOM 815 O ILE A 53 -6.109 -2.482 2.076 1.00 0.11 O ATOM 816 CB ILE A 53 -6.702 -5.221 3.578 1.00 0.16 C ATOM 817 CG1 ILE A 53 -7.665 -6.198 4.277 1.00 0.27 C ATOM 818 CG2 ILE A 53 -5.316 -5.336 4.219 1.00 0.25 C ATOM 819 CD1 ILE A 53 -9.020 -6.209 3.552 1.00 0.89 C ATOM 0 H ILE A 53 -8.520 -4.064 2.080 1.00 0.21 H new ATOM 0 HA ILE A 53 -7.404 -3.588 4.810 1.00 0.16 H new ATOM 0 HB ILE A 53 -6.642 -5.463 2.517 1.00 0.16 H new ATOM 0 HG12 ILE A 53 -7.238 -7.201 4.283 1.00 0.27 H new ATOM 0 HG13 ILE A 53 -7.802 -5.904 5.318 1.00 0.27 H new ATOM 0 HG21 ILE A 53 -4.942 -6.353 4.097 1.00 0.25 H new ATOM 0 HG22 ILE A 53 -4.633 -4.638 3.736 1.00 0.25 H new ATOM 0 HG23 ILE A 53 -5.385 -5.100 5.281 1.00 0.25 H new ATOM 0 HD11 ILE A 53 -9.695 -6.903 4.053 1.00 0.89 H new ATOM 0 HD12 ILE A 53 -9.450 -5.208 3.569 1.00 0.89 H new ATOM 0 HD13 ILE A 53 -8.877 -6.524 2.518 1.00 0.89 H new ATOM 831 N PHE A 54 -5.329 -2.360 4.159 1.00 0.17 N ATOM 832 CA PHE A 54 -4.256 -1.395 3.783 1.00 0.14 C ATOM 833 C PHE A 54 -2.921 -1.832 4.393 1.00 0.12 C ATOM 834 O PHE A 54 -2.882 -2.356 5.488 1.00 0.27 O ATOM 835 CB PHE A 54 -4.627 -0.014 4.321 1.00 0.15 C ATOM 836 CG PHE A 54 -5.940 0.441 3.683 1.00 0.18 C ATOM 837 CD1 PHE A 54 -5.941 1.096 2.464 1.00 0.19 C ATOM 838 CD2 PHE A 54 -7.145 0.203 4.320 1.00 0.20 C ATOM 839 CE1 PHE A 54 -7.129 1.505 1.892 1.00 0.22 C ATOM 840 CE2 PHE A 54 -8.332 0.613 3.746 1.00 0.23 C ATOM 841 CZ PHE A 54 -8.323 1.264 2.533 1.00 0.24 C ATOM 0 H PHE A 54 -5.350 -2.622 5.145 1.00 0.17 H new ATOM 0 HA PHE A 54 -4.158 -1.364 2.698 1.00 0.14 H new ATOM 0 HB2 PHE A 54 -4.729 -0.049 5.406 1.00 0.15 H new ATOM 0 HB3 PHE A 54 -3.834 0.701 4.099 1.00 0.15 H new ATOM 0 HD1 PHE A 54 -5.007 1.288 1.957 1.00 0.19 H new ATOM 0 HD2 PHE A 54 -7.157 -0.307 5.272 1.00 0.20 H new ATOM 0 HE1 PHE A 54 -7.122 2.015 0.940 1.00 0.22 H new ATOM 0 HE2 PHE A 54 -9.269 0.423 4.249 1.00 0.23 H new ATOM 0 HZ PHE A 54 -9.252 1.585 2.085 1.00 0.24 H new ATOM 851 N LEU A 55 -1.858 -1.616 3.665 1.00 0.13 N ATOM 852 CA LEU A 55 -0.513 -2.002 4.187 1.00 0.19 C ATOM 853 C LEU A 55 0.494 -0.880 3.909 1.00 0.10 C ATOM 854 O LEU A 55 0.286 -0.059 3.036 1.00 0.13 O ATOM 855 CB LEU A 55 -0.037 -3.284 3.494 1.00 0.27 C ATOM 856 CG LEU A 55 -1.245 -4.187 3.177 1.00 0.27 C ATOM 857 CD1 LEU A 55 -2.004 -3.653 1.957 1.00 0.47 C ATOM 858 CD2 LEU A 55 -0.748 -5.592 2.852 1.00 0.36 C ATOM 0 H LEU A 55 -1.861 -1.192 2.737 1.00 0.13 H new ATOM 0 HA LEU A 55 -0.586 -2.170 5.261 1.00 0.19 H new ATOM 0 HB2 LEU A 55 0.494 -3.036 2.575 1.00 0.27 H new ATOM 0 HB3 LEU A 55 0.667 -3.815 4.135 1.00 0.27 H new ATOM 0 HG LEU A 55 -1.907 -4.201 4.043 1.00 0.27 H new ATOM 0 HD11 LEU A 55 -2.854 -4.301 1.745 1.00 0.47 H new ATOM 0 HD12 LEU A 55 -2.360 -2.643 2.163 1.00 0.47 H new ATOM 0 HD13 LEU A 55 -1.338 -3.634 1.094 1.00 0.47 H new ATOM 0 HD21 LEU A 55 -1.598 -6.236 2.627 1.00 0.36 H new ATOM 0 HD22 LEU A 55 -0.084 -5.552 1.988 1.00 0.36 H new ATOM 0 HD23 LEU A 55 -0.206 -5.993 3.708 1.00 0.36 H new ATOM 870 N GLU A 56 1.563 -0.875 4.659 1.00 0.22 N ATOM 871 CA GLU A 56 2.613 0.177 4.467 1.00 0.14 C ATOM 872 C GLU A 56 3.990 -0.490 4.373 1.00 0.09 C ATOM 873 O GLU A 56 4.448 -1.098 5.320 1.00 0.05 O ATOM 874 CB GLU A 56 2.587 1.130 5.661 1.00 0.19 C ATOM 875 CG GLU A 56 3.731 2.136 5.525 1.00 0.57 C ATOM 876 CD GLU A 56 4.872 1.735 6.463 1.00 1.78 C ATOM 877 OE1 GLU A 56 4.652 1.841 7.659 1.00 1.92 O ATOM 878 OE2 GLU A 56 5.897 1.345 5.931 1.00 2.89 O ATOM 0 H GLU A 56 1.758 -1.552 5.397 1.00 0.22 H new ATOM 0 HA GLU A 56 2.418 0.732 3.550 1.00 0.14 H new ATOM 0 HB2 GLU A 56 1.631 1.652 5.705 1.00 0.19 H new ATOM 0 HB3 GLU A 56 2.687 0.570 6.591 1.00 0.19 H new ATOM 0 HG2 GLU A 56 4.085 2.164 4.494 1.00 0.57 H new ATOM 0 HG3 GLU A 56 3.380 3.139 5.769 1.00 0.57 H new ATOM 885 N VAL A 57 4.625 -0.356 3.234 1.00 0.11 N ATOM 886 CA VAL A 57 5.969 -0.999 3.063 1.00 0.06 C ATOM 887 C VAL A 57 7.095 0.030 3.199 1.00 0.05 C ATOM 888 O VAL A 57 6.980 1.152 2.742 1.00 0.13 O ATOM 889 CB VAL A 57 6.048 -1.639 1.677 1.00 0.09 C ATOM 890 CG1 VAL A 57 7.421 -2.292 1.501 1.00 0.11 C ATOM 891 CG2 VAL A 57 4.967 -2.708 1.548 1.00 0.24 C ATOM 0 H VAL A 57 4.279 0.162 2.426 1.00 0.11 H new ATOM 0 HA VAL A 57 6.090 -1.753 3.841 1.00 0.06 H new ATOM 0 HB VAL A 57 5.900 -0.875 0.914 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.482 -2.750 0.514 1.00 0.11 H new ATOM 0 HG12 VAL A 57 8.199 -1.535 1.599 1.00 0.11 H new ATOM 0 HG13 VAL A 57 7.561 -3.057 2.265 1.00 0.11 H new ATOM 0 HG21 VAL A 57 5.023 -3.165 0.560 1.00 0.24 H new ATOM 0 HG22 VAL A 57 5.118 -3.472 2.310 1.00 0.24 H new ATOM 0 HG23 VAL A 57 3.986 -2.252 1.682 1.00 0.24 H new ATOM 901 N ASP A 58 8.162 -0.387 3.828 1.00 0.10 N ATOM 902 CA ASP A 58 9.326 0.527 3.999 1.00 0.15 C ATOM 903 C ASP A 58 10.393 0.199 2.949 1.00 0.17 C ATOM 904 O ASP A 58 11.047 -0.823 3.022 1.00 0.22 O ATOM 905 CB ASP A 58 9.909 0.331 5.396 1.00 0.28 C ATOM 906 CG ASP A 58 10.951 1.417 5.668 1.00 0.36 C ATOM 907 OD1 ASP A 58 10.969 2.358 4.892 1.00 1.12 O ATOM 908 OD2 ASP A 58 11.671 1.244 6.637 1.00 1.37 O ATOM 0 H ASP A 58 8.276 -1.318 4.229 1.00 0.10 H new ATOM 0 HA ASP A 58 9.005 1.561 3.874 1.00 0.15 H new ATOM 0 HB2 ASP A 58 9.116 0.377 6.143 1.00 0.28 H new ATOM 0 HB3 ASP A 58 10.366 -0.655 5.476 1.00 0.28 H new ATOM 913 N VAL A 59 10.545 1.072 1.993 1.00 0.19 N ATOM 914 CA VAL A 59 11.555 0.821 0.923 1.00 0.29 C ATOM 915 C VAL A 59 12.978 0.880 1.493 1.00 0.37 C ATOM 916 O VAL A 59 13.942 0.841 0.754 1.00 0.59 O ATOM 917 CB VAL A 59 11.398 1.884 -0.164 1.00 0.26 C ATOM 918 CG1 VAL A 59 9.977 1.823 -0.730 1.00 0.33 C ATOM 919 CG2 VAL A 59 11.635 3.268 0.449 1.00 0.14 C ATOM 0 H VAL A 59 10.020 1.942 1.904 1.00 0.19 H new ATOM 0 HA VAL A 59 11.392 -0.173 0.507 1.00 0.29 H new ATOM 0 HB VAL A 59 12.119 1.703 -0.961 1.00 0.26 H new ATOM 0 HG11 VAL A 59 9.862 2.580 -1.506 1.00 0.33 H new ATOM 0 HG12 VAL A 59 9.797 0.836 -1.156 1.00 0.33 H new ATOM 0 HG13 VAL A 59 9.259 2.009 0.069 1.00 0.33 H new ATOM 0 HG21 VAL A 59 11.524 4.031 -0.322 1.00 0.14 H new ATOM 0 HG22 VAL A 59 10.908 3.444 1.241 1.00 0.14 H new ATOM 0 HG23 VAL A 59 12.642 3.315 0.864 1.00 0.14 H new ATOM 929 N ASP A 60 13.077 0.969 2.794 1.00 0.33 N ATOM 930 CA ASP A 60 14.431 1.039 3.429 1.00 0.40 C ATOM 931 C ASP A 60 14.795 -0.303 4.078 1.00 0.34 C ATOM 932 O ASP A 60 15.907 -0.774 3.945 1.00 0.28 O ATOM 933 CB ASP A 60 14.421 2.131 4.496 1.00 0.49 C ATOM 934 CG ASP A 60 15.849 2.370 4.990 1.00 0.57 C ATOM 935 OD1 ASP A 60 16.661 2.726 4.150 1.00 1.49 O ATOM 936 OD2 ASP A 60 16.048 2.185 6.179 1.00 0.29 O ATOM 0 H ASP A 60 12.289 0.996 3.441 1.00 0.33 H new ATOM 0 HA ASP A 60 15.172 1.266 2.662 1.00 0.40 H new ATOM 0 HB2 ASP A 60 14.007 3.052 4.086 1.00 0.49 H new ATOM 0 HB3 ASP A 60 13.781 1.837 5.328 1.00 0.49 H new ATOM 941 N ASP A 61 13.848 -0.889 4.764 1.00 0.35 N ATOM 942 CA ASP A 61 14.125 -2.198 5.437 1.00 0.30 C ATOM 943 C ASP A 61 13.532 -3.357 4.629 1.00 0.27 C ATOM 944 O ASP A 61 13.943 -4.491 4.781 1.00 0.31 O ATOM 945 CB ASP A 61 13.500 -2.181 6.831 1.00 0.35 C ATOM 946 CG ASP A 61 13.593 -3.580 7.443 1.00 0.32 C ATOM 947 OD1 ASP A 61 14.717 -4.000 7.666 1.00 0.65 O ATOM 948 OD2 ASP A 61 12.534 -4.149 7.654 1.00 1.06 O ATOM 0 H ASP A 61 12.904 -0.524 4.888 1.00 0.35 H new ATOM 0 HA ASP A 61 15.203 -2.340 5.508 1.00 0.30 H new ATOM 0 HB2 ASP A 61 14.015 -1.459 7.465 1.00 0.35 H new ATOM 0 HB3 ASP A 61 12.458 -1.866 6.771 1.00 0.35 H new ATOM 953 N CYS A 62 12.577 -3.045 3.787 1.00 0.25 N ATOM 954 CA CYS A 62 11.932 -4.117 2.961 1.00 0.22 C ATOM 955 C CYS A 62 12.259 -3.922 1.478 1.00 0.23 C ATOM 956 O CYS A 62 11.407 -4.081 0.626 1.00 0.24 O ATOM 957 CB CYS A 62 10.420 -4.047 3.157 1.00 0.23 C ATOM 958 SG CYS A 62 9.816 -3.553 4.790 1.00 0.21 S ATOM 0 H CYS A 62 12.217 -2.103 3.635 1.00 0.25 H new ATOM 0 HA CYS A 62 12.311 -5.089 3.277 1.00 0.22 H new ATOM 0 HB2 CYS A 62 10.017 -3.349 2.423 1.00 0.23 H new ATOM 0 HB3 CYS A 62 10.004 -5.028 2.926 1.00 0.23 H new ATOM 0 HG CYS A 62 8.516 -3.542 4.787 1.00 0.21 H new ATOM 964 N GLN A 63 13.486 -3.579 1.200 1.00 0.24 N ATOM 965 CA GLN A 63 13.881 -3.370 -0.219 1.00 0.26 C ATOM 966 C GLN A 63 13.593 -4.626 -1.045 1.00 0.28 C ATOM 967 O GLN A 63 13.506 -4.571 -2.255 1.00 0.33 O ATOM 968 CB GLN A 63 15.374 -3.051 -0.282 1.00 0.30 C ATOM 969 CG GLN A 63 15.634 -1.721 0.426 1.00 0.67 C ATOM 970 CD GLN A 63 17.119 -1.617 0.779 1.00 0.63 C ATOM 971 OE1 GLN A 63 17.488 -1.114 1.820 1.00 1.83 O ATOM 972 NE2 GLN A 63 18.004 -2.081 -0.063 1.00 0.72 N ATOM 0 H GLN A 63 14.226 -3.436 1.888 1.00 0.24 H new ATOM 0 HA GLN A 63 13.304 -2.541 -0.630 1.00 0.26 H new ATOM 0 HB2 GLN A 63 15.948 -3.847 0.191 1.00 0.30 H new ATOM 0 HB3 GLN A 63 15.703 -2.995 -1.320 1.00 0.30 H new ATOM 0 HG2 GLN A 63 15.342 -0.891 -0.217 1.00 0.67 H new ATOM 0 HG3 GLN A 63 15.028 -1.652 1.329 1.00 0.67 H new ATOM 0 HE21 GLN A 63 17.701 -2.505 -0.940 1.00 0.72 H new ATOM 0 HE22 GLN A 63 18.998 -2.019 0.156 1.00 0.72 H new ATOM 981 N ASP A 64 13.450 -5.730 -0.372 1.00 0.25 N ATOM 982 CA ASP A 64 13.174 -7.001 -1.095 1.00 0.27 C ATOM 983 C ASP A 64 11.780 -6.973 -1.717 1.00 0.26 C ATOM 984 O ASP A 64 11.551 -7.535 -2.769 1.00 0.42 O ATOM 985 CB ASP A 64 13.271 -8.167 -0.112 1.00 0.25 C ATOM 986 CG ASP A 64 12.273 -7.953 1.028 1.00 0.52 C ATOM 987 OD1 ASP A 64 12.509 -7.028 1.787 1.00 0.57 O ATOM 988 OD2 ASP A 64 11.331 -8.727 1.075 1.00 1.37 O ATOM 0 H ASP A 64 13.512 -5.809 0.643 1.00 0.25 H new ATOM 0 HA ASP A 64 13.908 -7.122 -1.892 1.00 0.27 H new ATOM 0 HB2 ASP A 64 13.061 -9.107 -0.623 1.00 0.25 H new ATOM 0 HB3 ASP A 64 14.284 -8.240 0.285 1.00 0.25 H new ATOM 993 N VAL A 65 10.882 -6.319 -1.051 1.00 0.27 N ATOM 994 CA VAL A 65 9.495 -6.238 -1.571 1.00 0.26 C ATOM 995 C VAL A 65 9.383 -5.146 -2.632 1.00 0.28 C ATOM 996 O VAL A 65 8.775 -5.337 -3.666 1.00 0.26 O ATOM 997 CB VAL A 65 8.553 -5.928 -0.422 1.00 0.26 C ATOM 998 CG1 VAL A 65 7.117 -6.230 -0.850 1.00 0.22 C ATOM 999 CG2 VAL A 65 8.914 -6.804 0.781 1.00 0.27 C ATOM 0 H VAL A 65 11.046 -5.836 -0.168 1.00 0.27 H new ATOM 0 HA VAL A 65 9.229 -7.192 -2.026 1.00 0.26 H new ATOM 0 HB VAL A 65 8.643 -4.876 -0.150 1.00 0.26 H new ATOM 0 HG11 VAL A 65 6.438 -6.008 -0.027 1.00 0.22 H new ATOM 0 HG12 VAL A 65 6.857 -5.614 -1.711 1.00 0.22 H new ATOM 0 HG13 VAL A 65 7.031 -7.283 -1.118 1.00 0.22 H new ATOM 0 HG21 VAL A 65 8.239 -6.583 1.608 1.00 0.27 H new ATOM 0 HG22 VAL A 65 8.821 -7.855 0.507 1.00 0.27 H new ATOM 0 HG23 VAL A 65 9.940 -6.598 1.086 1.00 0.27 H new ATOM 1009 N ALA A 66 9.974 -4.027 -2.351 1.00 0.31 N ATOM 1010 CA ALA A 66 9.922 -2.906 -3.325 1.00 0.33 C ATOM 1011 C ALA A 66 10.576 -3.330 -4.633 1.00 0.34 C ATOM 1012 O ALA A 66 10.003 -3.198 -5.696 1.00 0.34 O ATOM 1013 CB ALA A 66 10.665 -1.703 -2.747 1.00 0.36 C ATOM 0 H ALA A 66 10.490 -3.837 -1.492 1.00 0.31 H new ATOM 0 HA ALA A 66 8.883 -2.638 -3.516 1.00 0.33 H new ATOM 0 HB1 ALA A 66 10.630 -0.878 -3.458 1.00 0.36 H new ATOM 0 HB2 ALA A 66 10.193 -1.398 -1.813 1.00 0.36 H new ATOM 0 HB3 ALA A 66 11.704 -1.974 -2.557 1.00 0.36 H new ATOM 1019 N SER A 67 11.761 -3.834 -4.520 1.00 0.38 N ATOM 1020 CA SER A 67 12.483 -4.288 -5.738 1.00 0.39 C ATOM 1021 C SER A 67 11.648 -5.333 -6.464 1.00 0.40 C ATOM 1022 O SER A 67 11.758 -5.514 -7.660 1.00 0.62 O ATOM 1023 CB SER A 67 13.820 -4.898 -5.332 1.00 0.39 C ATOM 1024 OG SER A 67 13.499 -6.235 -4.980 1.00 1.77 O ATOM 0 H SER A 67 12.265 -3.954 -3.642 1.00 0.38 H new ATOM 0 HA SER A 67 12.654 -3.439 -6.399 1.00 0.39 H new ATOM 0 HB2 SER A 67 14.539 -4.863 -6.151 1.00 0.39 H new ATOM 0 HB3 SER A 67 14.265 -4.361 -4.494 1.00 0.39 H new ATOM 0 HG SER A 67 14.313 -6.705 -4.704 1.00 1.77 H new ATOM 1030 N GLU A 68 10.828 -5.994 -5.711 1.00 0.20 N ATOM 1031 CA GLU A 68 9.954 -7.037 -6.305 1.00 0.18 C ATOM 1032 C GLU A 68 9.009 -6.391 -7.309 1.00 0.22 C ATOM 1033 O GLU A 68 8.778 -6.909 -8.384 1.00 0.34 O ATOM 1034 CB GLU A 68 9.146 -7.706 -5.194 1.00 0.22 C ATOM 1035 CG GLU A 68 8.957 -9.186 -5.531 1.00 0.27 C ATOM 1036 CD GLU A 68 7.983 -9.813 -4.532 1.00 1.14 C ATOM 1037 OE1 GLU A 68 6.795 -9.636 -4.748 1.00 1.55 O ATOM 1038 OE2 GLU A 68 8.481 -10.436 -3.608 1.00 2.32 O ATOM 0 H GLU A 68 10.722 -5.859 -4.706 1.00 0.20 H new ATOM 0 HA GLU A 68 10.563 -7.785 -6.813 1.00 0.18 H new ATOM 0 HB2 GLU A 68 9.661 -7.601 -4.239 1.00 0.22 H new ATOM 0 HB3 GLU A 68 8.177 -7.218 -5.088 1.00 0.22 H new ATOM 0 HG2 GLU A 68 8.574 -9.293 -6.546 1.00 0.27 H new ATOM 0 HG3 GLU A 68 9.915 -9.704 -5.496 1.00 0.27 H new ATOM 1045 N CYS A 69 8.485 -5.271 -6.926 1.00 0.18 N ATOM 1046 CA CYS A 69 7.556 -4.541 -7.829 1.00 0.21 C ATOM 1047 C CYS A 69 8.362 -3.631 -8.758 1.00 0.16 C ATOM 1048 O CYS A 69 7.811 -2.917 -9.572 1.00 0.17 O ATOM 1049 CB CYS A 69 6.602 -3.700 -6.984 1.00 0.27 C ATOM 1050 SG CYS A 69 5.403 -4.587 -5.959 1.00 0.22 S ATOM 0 H CYS A 69 8.657 -4.824 -6.025 1.00 0.18 H new ATOM 0 HA CYS A 69 6.985 -5.250 -8.429 1.00 0.21 H new ATOM 0 HB2 CYS A 69 7.200 -3.065 -6.331 1.00 0.27 H new ATOM 0 HB3 CYS A 69 6.051 -3.040 -7.653 1.00 0.27 H new ATOM 0 HG CYS A 69 4.226 -4.056 -6.110 1.00 0.22 H new ATOM 1056 N GLU A 70 9.658 -3.680 -8.605 1.00 0.13 N ATOM 1057 CA GLU A 70 10.541 -2.840 -9.462 1.00 0.14 C ATOM 1058 C GLU A 70 10.147 -1.364 -9.370 1.00 0.13 C ATOM 1059 O GLU A 70 10.003 -0.699 -10.377 1.00 0.14 O ATOM 1060 CB GLU A 70 10.425 -3.307 -10.913 1.00 0.20 C ATOM 1061 CG GLU A 70 10.753 -4.799 -10.989 1.00 1.00 C ATOM 1062 CD GLU A 70 11.099 -5.169 -12.433 1.00 0.98 C ATOM 1063 OE1 GLU A 70 12.169 -4.762 -12.855 1.00 1.40 O ATOM 1064 OE2 GLU A 70 10.273 -5.836 -13.034 1.00 1.65 O ATOM 0 H GLU A 70 10.142 -4.265 -7.924 1.00 0.13 H new ATOM 0 HA GLU A 70 11.568 -2.946 -9.114 1.00 0.14 H new ATOM 0 HB2 GLU A 70 9.418 -3.124 -11.287 1.00 0.20 H new ATOM 0 HB3 GLU A 70 11.108 -2.740 -11.546 1.00 0.20 H new ATOM 0 HG2 GLU A 70 11.590 -5.033 -10.331 1.00 1.00 H new ATOM 0 HG3 GLU A 70 9.903 -5.388 -10.645 1.00 1.00 H new ATOM 1071 N VAL A 71 9.978 -0.877 -8.169 1.00 0.13 N ATOM 1072 CA VAL A 71 9.607 0.565 -8.026 1.00 0.16 C ATOM 1073 C VAL A 71 10.806 1.445 -8.384 1.00 0.32 C ATOM 1074 O VAL A 71 11.932 0.988 -8.402 1.00 0.49 O ATOM 1075 CB VAL A 71 9.185 0.860 -6.586 1.00 0.16 C ATOM 1076 CG1 VAL A 71 8.221 2.049 -6.583 1.00 0.38 C ATOM 1077 CG2 VAL A 71 8.479 -0.363 -6.000 1.00 0.24 C ATOM 0 H VAL A 71 10.077 -1.399 -7.298 1.00 0.13 H new ATOM 0 HA VAL A 71 8.777 0.780 -8.698 1.00 0.16 H new ATOM 0 HB VAL A 71 10.065 1.093 -5.986 1.00 0.16 H new ATOM 0 HG11 VAL A 71 7.915 2.266 -5.560 1.00 0.38 H new ATOM 0 HG12 VAL A 71 8.718 2.922 -7.006 1.00 0.38 H new ATOM 0 HG13 VAL A 71 7.342 1.807 -7.181 1.00 0.38 H new ATOM 0 HG21 VAL A 71 8.178 -0.153 -4.974 1.00 0.24 H new ATOM 0 HG22 VAL A 71 7.596 -0.594 -6.596 1.00 0.24 H new ATOM 0 HG23 VAL A 71 9.158 -1.215 -6.012 1.00 0.24 H new ATOM 1087 N LYS A 72 10.540 2.689 -8.660 1.00 0.35 N ATOM 1088 CA LYS A 72 11.652 3.613 -9.017 1.00 0.51 C ATOM 1089 C LYS A 72 11.360 5.013 -8.478 1.00 0.45 C ATOM 1090 O LYS A 72 11.954 5.982 -8.909 1.00 0.61 O ATOM 1091 CB LYS A 72 11.785 3.670 -10.538 1.00 0.75 C ATOM 1092 CG LYS A 72 13.223 4.044 -10.903 1.00 1.11 C ATOM 1093 CD LYS A 72 13.340 4.155 -12.426 1.00 1.78 C ATOM 1094 CE LYS A 72 14.615 4.923 -12.776 1.00 2.41 C ATOM 1095 NZ LYS A 72 14.421 6.385 -12.558 1.00 3.38 N ATOM 0 H LYS A 72 9.609 3.105 -8.654 1.00 0.35 H new ATOM 0 HA LYS A 72 12.581 3.250 -8.577 1.00 0.51 H new ATOM 0 HB2 LYS A 72 11.525 2.705 -10.974 1.00 0.75 H new ATOM 0 HB3 LYS A 72 11.090 4.403 -10.949 1.00 0.75 H new ATOM 0 HG2 LYS A 72 13.496 4.990 -10.435 1.00 1.11 H new ATOM 0 HG3 LYS A 72 13.915 3.290 -10.527 1.00 1.11 H new ATOM 0 HD2 LYS A 72 13.364 3.162 -12.874 1.00 1.78 H new ATOM 0 HD3 LYS A 72 12.469 4.668 -12.834 1.00 1.78 H new ATOM 0 HE2 LYS A 72 15.442 4.565 -12.163 1.00 2.41 H new ATOM 0 HE3 LYS A 72 14.885 4.737 -13.816 1.00 2.41 H new ATOM 0 HZ1 LYS A 72 15.175 6.911 -13.044 1.00 3.38 H new ATOM 0 HZ2 LYS A 72 13.497 6.673 -12.938 1.00 3.38 H new ATOM 0 HZ3 LYS A 72 14.456 6.592 -11.539 1.00 3.38 H new ATOM 1109 N CYS A 73 10.451 5.093 -7.544 1.00 0.25 N ATOM 1110 CA CYS A 73 10.111 6.432 -6.975 1.00 0.22 C ATOM 1111 C CYS A 73 9.028 6.308 -5.907 1.00 0.17 C ATOM 1112 O CYS A 73 8.087 5.552 -6.052 1.00 0.13 O ATOM 1113 CB CYS A 73 9.615 7.337 -8.101 1.00 0.30 C ATOM 1114 SG CYS A 73 8.640 6.568 -9.417 1.00 0.29 S ATOM 0 H CYS A 73 9.935 4.304 -7.154 1.00 0.25 H new ATOM 0 HA CYS A 73 11.002 6.857 -6.513 1.00 0.22 H new ATOM 0 HB2 CYS A 73 9.014 8.130 -7.656 1.00 0.30 H new ATOM 0 HB3 CYS A 73 10.483 7.813 -8.558 1.00 0.30 H new ATOM 0 HG CYS A 73 8.298 7.471 -10.288 1.00 0.29 H new ATOM 1120 N THR A 74 9.193 7.065 -4.854 1.00 0.23 N ATOM 1121 CA THR A 74 8.195 7.039 -3.744 1.00 0.21 C ATOM 1122 C THR A 74 7.536 8.432 -3.630 1.00 0.21 C ATOM 1123 O THR A 74 8.131 9.422 -4.009 1.00 0.21 O ATOM 1124 CB THR A 74 8.936 6.707 -2.439 1.00 0.19 C ATOM 1125 OG1 THR A 74 10.149 7.448 -2.521 1.00 0.17 O ATOM 1126 CG2 THR A 74 9.370 5.243 -2.389 1.00 0.19 C ATOM 0 H THR A 74 9.978 7.702 -4.715 1.00 0.23 H new ATOM 0 HA THR A 74 7.425 6.292 -3.935 1.00 0.21 H new ATOM 0 HB THR A 74 8.296 6.924 -1.584 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.684 7.290 -1.715 1.00 0.17 H new ATOM 0 HG21 THR A 74 9.890 5.050 -1.451 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.492 4.601 -2.456 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.038 5.033 -3.224 1.00 0.19 H new ATOM 1134 N PRO A 75 6.318 8.494 -3.108 1.00 0.22 N ATOM 1135 CA PRO A 75 5.541 7.324 -2.643 1.00 0.24 C ATOM 1136 C PRO A 75 4.897 6.587 -3.830 1.00 0.27 C ATOM 1137 O PRO A 75 4.630 7.185 -4.861 1.00 0.26 O ATOM 1138 CB PRO A 75 4.445 7.921 -1.756 1.00 0.27 C ATOM 1139 CG PRO A 75 4.429 9.458 -2.022 1.00 0.24 C ATOM 1140 CD PRO A 75 5.648 9.780 -2.909 1.00 0.22 C ATOM 0 HA PRO A 75 6.168 6.601 -2.121 1.00 0.24 H new ATOM 0 HB2 PRO A 75 3.476 7.479 -1.990 1.00 0.27 H new ATOM 0 HB3 PRO A 75 4.644 7.714 -0.705 1.00 0.27 H new ATOM 0 HG2 PRO A 75 3.504 9.753 -2.517 1.00 0.24 H new ATOM 0 HG3 PRO A 75 4.479 10.011 -1.084 1.00 0.24 H new ATOM 0 HD2 PRO A 75 5.341 10.217 -3.859 1.00 0.22 H new ATOM 0 HD3 PRO A 75 6.309 10.500 -2.426 1.00 0.22 H new ATOM 1148 N THR A 76 4.660 5.306 -3.658 1.00 0.31 N ATOM 1149 CA THR A 76 4.024 4.517 -4.759 1.00 0.34 C ATOM 1150 C THR A 76 2.846 3.707 -4.213 1.00 0.39 C ATOM 1151 O THR A 76 2.929 3.132 -3.145 1.00 0.66 O ATOM 1152 CB THR A 76 5.058 3.570 -5.375 1.00 0.35 C ATOM 1153 OG1 THR A 76 5.571 4.280 -6.498 1.00 0.53 O ATOM 1154 CG2 THR A 76 4.394 2.323 -5.953 1.00 0.71 C ATOM 0 H THR A 76 4.877 4.779 -2.812 1.00 0.31 H new ATOM 0 HA THR A 76 3.658 5.203 -5.523 1.00 0.34 H new ATOM 0 HB THR A 76 5.793 3.276 -4.625 1.00 0.35 H new ATOM 0 HG1 THR A 76 6.431 4.686 -6.263 1.00 0.53 H new ATOM 0 HG21 THR A 76 5.155 1.671 -6.383 1.00 0.71 H new ATOM 0 HG22 THR A 76 3.866 1.792 -5.161 1.00 0.71 H new ATOM 0 HG23 THR A 76 3.686 2.614 -6.729 1.00 0.71 H new ATOM 1162 N PHE A 77 1.773 3.678 -4.966 1.00 0.15 N ATOM 1163 CA PHE A 77 0.562 2.922 -4.512 1.00 0.16 C ATOM 1164 C PHE A 77 0.307 1.713 -5.417 1.00 0.17 C ATOM 1165 O PHE A 77 0.352 1.823 -6.627 1.00 0.16 O ATOM 1166 CB PHE A 77 -0.643 3.852 -4.578 1.00 0.14 C ATOM 1167 CG PHE A 77 -0.588 4.822 -3.407 1.00 0.14 C ATOM 1168 CD1 PHE A 77 -0.794 4.364 -2.123 1.00 0.15 C ATOM 1169 CD2 PHE A 77 -0.330 6.167 -3.612 1.00 0.12 C ATOM 1170 CE1 PHE A 77 -0.749 5.238 -1.055 1.00 0.16 C ATOM 1171 CE2 PHE A 77 -0.284 7.039 -2.543 1.00 0.13 C ATOM 1172 CZ PHE A 77 -0.494 6.574 -1.267 1.00 0.14 C ATOM 0 H PHE A 77 1.683 4.142 -5.870 1.00 0.15 H new ATOM 0 HA PHE A 77 0.724 2.568 -3.494 1.00 0.16 H new ATOM 0 HB2 PHE A 77 -0.644 4.400 -5.520 1.00 0.14 H new ATOM 0 HB3 PHE A 77 -1.566 3.274 -4.544 1.00 0.14 H new ATOM 0 HD1 PHE A 77 -0.992 3.316 -1.952 1.00 0.15 H new ATOM 0 HD2 PHE A 77 -0.164 6.536 -4.613 1.00 0.12 H new ATOM 0 HE1 PHE A 77 -0.914 4.873 -0.052 1.00 0.16 H new ATOM 0 HE2 PHE A 77 -0.083 8.087 -2.709 1.00 0.13 H new ATOM 0 HZ PHE A 77 -0.459 7.257 -0.431 1.00 0.14 H new ATOM 1182 N GLN A 78 0.045 0.580 -4.805 1.00 0.17 N ATOM 1183 CA GLN A 78 -0.232 -0.658 -5.618 1.00 0.17 C ATOM 1184 C GLN A 78 -1.570 -1.295 -5.216 1.00 0.18 C ATOM 1185 O GLN A 78 -2.040 -1.119 -4.112 1.00 0.22 O ATOM 1186 CB GLN A 78 0.889 -1.662 -5.397 1.00 0.18 C ATOM 1187 CG GLN A 78 2.194 -1.077 -5.941 1.00 0.58 C ATOM 1188 CD GLN A 78 3.292 -2.139 -5.878 1.00 0.84 C ATOM 1189 OE1 GLN A 78 3.023 -3.323 -5.852 1.00 1.47 O ATOM 1190 NE2 GLN A 78 4.542 -1.759 -5.852 1.00 0.91 N ATOM 0 H GLN A 78 0.010 0.456 -3.793 1.00 0.17 H new ATOM 0 HA GLN A 78 -0.287 -0.377 -6.670 1.00 0.17 H new ATOM 0 HB2 GLN A 78 0.990 -1.886 -4.335 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.658 -2.601 -5.900 1.00 0.18 H new ATOM 0 HG2 GLN A 78 2.055 -0.743 -6.969 1.00 0.58 H new ATOM 0 HG3 GLN A 78 2.484 -0.203 -5.358 1.00 0.58 H new ATOM 0 HE21 GLN A 78 4.774 -0.766 -5.874 1.00 0.91 H new ATOM 0 HE22 GLN A 78 5.286 -2.455 -5.810 1.00 0.91 H new ATOM 1199 N PHE A 79 -2.149 -2.026 -6.144 1.00 0.14 N ATOM 1200 CA PHE A 79 -3.466 -2.696 -5.871 1.00 0.15 C ATOM 1201 C PHE A 79 -3.349 -4.216 -6.078 1.00 0.16 C ATOM 1202 O PHE A 79 -3.177 -4.672 -7.191 1.00 0.36 O ATOM 1203 CB PHE A 79 -4.505 -2.156 -6.856 1.00 0.14 C ATOM 1204 CG PHE A 79 -4.932 -0.744 -6.451 1.00 0.21 C ATOM 1205 CD1 PHE A 79 -4.030 0.308 -6.502 1.00 0.23 C ATOM 1206 CD2 PHE A 79 -6.228 -0.497 -6.031 1.00 0.26 C ATOM 1207 CE1 PHE A 79 -4.421 1.581 -6.141 1.00 0.30 C ATOM 1208 CE2 PHE A 79 -6.615 0.778 -5.671 1.00 0.33 C ATOM 1209 CZ PHE A 79 -5.714 1.815 -5.726 1.00 0.35 C ATOM 0 H PHE A 79 -1.768 -2.187 -7.076 1.00 0.14 H new ATOM 0 HA PHE A 79 -3.759 -2.493 -4.841 1.00 0.15 H new ATOM 0 HB2 PHE A 79 -4.090 -2.143 -7.864 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.373 -2.814 -6.877 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -3.015 0.130 -6.826 1.00 0.23 H new ATOM 0 HD2 PHE A 79 -6.941 -1.307 -5.985 1.00 0.26 H new ATOM 0 HE1 PHE A 79 -3.713 2.395 -6.184 1.00 0.30 H new ATOM 0 HE2 PHE A 79 -7.628 0.962 -5.345 1.00 0.33 H new ATOM 0 HZ PHE A 79 -6.019 2.812 -5.444 1.00 0.35 H new ATOM 1219 N PHE A 80 -3.445 -4.966 -5.003 1.00 0.16 N ATOM 1220 CA PHE A 80 -3.362 -6.461 -5.132 1.00 0.17 C ATOM 1221 C PHE A 80 -4.730 -7.084 -4.839 1.00 0.19 C ATOM 1222 O PHE A 80 -5.392 -6.713 -3.888 1.00 0.29 O ATOM 1223 CB PHE A 80 -2.340 -7.006 -4.136 1.00 0.21 C ATOM 1224 CG PHE A 80 -0.930 -6.647 -4.605 1.00 0.21 C ATOM 1225 CD1 PHE A 80 -0.286 -7.408 -5.566 1.00 0.22 C ATOM 1226 CD2 PHE A 80 -0.283 -5.556 -4.070 1.00 0.19 C ATOM 1227 CE1 PHE A 80 0.989 -7.074 -5.979 1.00 0.21 C ATOM 1228 CE2 PHE A 80 0.989 -5.222 -4.485 1.00 0.17 C ATOM 1229 CZ PHE A 80 1.625 -5.982 -5.438 1.00 0.19 C ATOM 0 H PHE A 80 -3.575 -4.615 -4.054 1.00 0.16 H new ATOM 0 HA PHE A 80 -3.057 -6.714 -6.147 1.00 0.17 H new ATOM 0 HB2 PHE A 80 -2.523 -6.588 -3.146 1.00 0.21 H new ATOM 0 HB3 PHE A 80 -2.442 -8.088 -4.050 1.00 0.21 H new ATOM 0 HD1 PHE A 80 -0.783 -8.266 -5.994 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -0.776 -4.957 -3.319 1.00 0.19 H new ATOM 0 HE1 PHE A 80 1.487 -7.672 -6.728 1.00 0.21 H new ATOM 0 HE2 PHE A 80 1.486 -4.362 -4.061 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.622 -5.722 -5.761 1.00 0.19 H new ATOM 1239 N LYS A 81 -5.122 -8.012 -5.671 1.00 0.25 N ATOM 1240 CA LYS A 81 -6.439 -8.689 -5.470 1.00 0.28 C ATOM 1241 C LYS A 81 -6.251 -10.205 -5.522 1.00 0.33 C ATOM 1242 O LYS A 81 -5.589 -10.718 -6.401 1.00 0.33 O ATOM 1243 CB LYS A 81 -7.403 -8.255 -6.574 1.00 0.29 C ATOM 1244 CG LYS A 81 -8.842 -8.400 -6.072 1.00 0.33 C ATOM 1245 CD LYS A 81 -9.807 -8.007 -7.192 1.00 0.66 C ATOM 1246 CE LYS A 81 -11.237 -8.347 -6.764 1.00 0.61 C ATOM 1247 NZ LYS A 81 -12.223 -7.661 -7.646 1.00 1.37 N ATOM 0 H LYS A 81 -4.589 -8.331 -6.480 1.00 0.25 H new ATOM 0 HA LYS A 81 -6.847 -8.411 -4.498 1.00 0.28 H new ATOM 0 HB2 LYS A 81 -7.207 -7.221 -6.859 1.00 0.29 H new ATOM 0 HB3 LYS A 81 -7.253 -8.865 -7.465 1.00 0.29 H new ATOM 0 HG2 LYS A 81 -9.029 -9.427 -5.758 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.001 -7.766 -5.199 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.722 -6.941 -7.405 1.00 0.66 H new ATOM 0 HD3 LYS A 81 -9.553 -8.537 -8.110 1.00 0.66 H new ATOM 0 HE2 LYS A 81 -11.389 -9.425 -6.808 1.00 0.61 H new ATOM 0 HE3 LYS A 81 -11.395 -8.045 -5.729 1.00 0.61 H new ATOM 0 HZ1 LYS A 81 -13.188 -7.902 -7.342 1.00 1.37 H new ATOM 0 HZ2 LYS A 81 -12.088 -6.632 -7.583 1.00 1.37 H new ATOM 0 HZ3 LYS A 81 -12.083 -7.969 -8.629 1.00 1.37 H new ATOM 1261 N LYS A 82 -6.834 -10.888 -4.578 1.00 0.42 N ATOM 1262 CA LYS A 82 -6.696 -12.374 -4.550 1.00 0.46 C ATOM 1263 C LYS A 82 -5.213 -12.775 -4.561 1.00 0.35 C ATOM 1264 O LYS A 82 -4.888 -13.942 -4.672 1.00 0.34 O ATOM 1265 CB LYS A 82 -7.405 -12.975 -5.765 1.00 0.55 C ATOM 1266 CG LYS A 82 -8.898 -13.098 -5.455 1.00 0.98 C ATOM 1267 CD LYS A 82 -9.622 -13.644 -6.685 1.00 1.40 C ATOM 1268 CE LYS A 82 -10.381 -12.504 -7.368 1.00 2.91 C ATOM 1269 NZ LYS A 82 -10.914 -12.948 -8.687 1.00 3.86 N ATOM 0 H LYS A 82 -7.397 -10.487 -3.828 1.00 0.42 H new ATOM 0 HA LYS A 82 -7.152 -12.755 -3.636 1.00 0.46 H new ATOM 0 HB2 LYS A 82 -7.252 -12.344 -6.641 1.00 0.55 H new ATOM 0 HB3 LYS A 82 -6.987 -13.954 -6.000 1.00 0.55 H new ATOM 0 HG2 LYS A 82 -9.052 -13.761 -4.603 1.00 0.98 H new ATOM 0 HG3 LYS A 82 -9.306 -12.125 -5.180 1.00 0.98 H new ATOM 0 HD2 LYS A 82 -8.906 -14.086 -7.377 1.00 1.40 H new ATOM 0 HD3 LYS A 82 -10.314 -14.435 -6.394 1.00 1.40 H new ATOM 0 HE2 LYS A 82 -11.201 -12.172 -6.731 1.00 2.91 H new ATOM 0 HE3 LYS A 82 -9.719 -11.649 -7.506 1.00 2.91 H new ATOM 0 HZ1 LYS A 82 -11.426 -12.162 -9.137 1.00 3.86 H new ATOM 0 HZ2 LYS A 82 -10.126 -13.243 -9.298 1.00 3.86 H new ATOM 0 HZ3 LYS A 82 -11.562 -13.749 -8.548 1.00 3.86 H new ATOM 1283 N GLY A 83 -4.347 -11.794 -4.447 1.00 0.26 N ATOM 1284 CA GLY A 83 -2.878 -12.094 -4.430 1.00 0.14 C ATOM 1285 C GLY A 83 -2.194 -11.630 -5.723 1.00 0.18 C ATOM 1286 O GLY A 83 -0.983 -11.540 -5.779 1.00 0.76 O ATOM 0 H GLY A 83 -4.591 -10.807 -4.366 1.00 0.26 H new ATOM 0 HA2 GLY A 83 -2.415 -11.601 -3.575 1.00 0.14 H new ATOM 0 HA3 GLY A 83 -2.726 -13.166 -4.301 1.00 0.14 H new ATOM 1290 N GLN A 84 -2.977 -11.344 -6.732 1.00 0.41 N ATOM 1291 CA GLN A 84 -2.374 -10.892 -8.029 1.00 0.37 C ATOM 1292 C GLN A 84 -2.517 -9.376 -8.201 1.00 0.29 C ATOM 1293 O GLN A 84 -3.483 -8.786 -7.768 1.00 0.30 O ATOM 1294 CB GLN A 84 -3.078 -11.609 -9.183 1.00 0.62 C ATOM 1295 CG GLN A 84 -4.361 -10.856 -9.540 1.00 1.51 C ATOM 1296 CD GLN A 84 -5.293 -11.791 -10.315 1.00 1.60 C ATOM 1297 OE1 GLN A 84 -6.296 -12.247 -9.803 1.00 2.29 O ATOM 1298 NE2 GLN A 84 -4.997 -12.100 -11.547 1.00 1.69 N ATOM 0 H GLN A 84 -3.995 -11.402 -6.719 1.00 0.41 H new ATOM 0 HA GLN A 84 -1.312 -11.136 -8.027 1.00 0.37 H new ATOM 0 HB2 GLN A 84 -2.420 -11.660 -10.050 1.00 0.62 H new ATOM 0 HB3 GLN A 84 -3.312 -12.635 -8.900 1.00 0.62 H new ATOM 0 HG2 GLN A 84 -4.853 -10.501 -8.634 1.00 1.51 H new ATOM 0 HG3 GLN A 84 -4.126 -9.977 -10.140 1.00 1.51 H new ATOM 0 HE21 GLN A 84 -4.156 -11.719 -11.980 1.00 1.69 H new ATOM 0 HE22 GLN A 84 -5.607 -12.722 -12.077 1.00 1.69 H new ATOM 1307 N LYS A 85 -1.539 -8.781 -8.837 1.00 0.25 N ATOM 1308 CA LYS A 85 -1.586 -7.307 -9.050 1.00 0.17 C ATOM 1309 C LYS A 85 -2.610 -6.961 -10.137 1.00 0.17 C ATOM 1310 O LYS A 85 -2.759 -7.683 -11.102 1.00 0.17 O ATOM 1311 CB LYS A 85 -0.193 -6.831 -9.479 1.00 0.11 C ATOM 1312 CG LYS A 85 -0.112 -5.301 -9.385 1.00 0.08 C ATOM 1313 CD LYS A 85 1.362 -4.873 -9.374 1.00 0.14 C ATOM 1314 CE LYS A 85 2.009 -5.231 -10.716 1.00 0.17 C ATOM 1315 NZ LYS A 85 2.344 -6.681 -10.764 1.00 1.55 N ATOM 0 H LYS A 85 -0.716 -9.251 -9.215 1.00 0.25 H new ATOM 0 HA LYS A 85 -1.883 -6.812 -8.126 1.00 0.17 H new ATOM 0 HB2 LYS A 85 0.568 -7.284 -8.843 1.00 0.11 H new ATOM 0 HB3 LYS A 85 0.012 -7.153 -10.500 1.00 0.11 H new ATOM 0 HG2 LYS A 85 -0.629 -4.845 -10.229 1.00 0.08 H new ATOM 0 HG3 LYS A 85 -0.611 -4.953 -8.480 1.00 0.08 H new ATOM 0 HD2 LYS A 85 1.439 -3.800 -9.196 1.00 0.14 H new ATOM 0 HD3 LYS A 85 1.890 -5.370 -8.560 1.00 0.14 H new ATOM 0 HE2 LYS A 85 1.330 -4.982 -11.532 1.00 0.17 H new ATOM 0 HE3 LYS A 85 2.912 -4.638 -10.860 1.00 0.17 H new ATOM 0 HZ1 LYS A 85 3.320 -6.801 -11.102 1.00 1.55 H new ATOM 0 HZ2 LYS A 85 2.254 -7.090 -9.812 1.00 1.55 H new ATOM 0 HZ3 LYS A 85 1.692 -7.167 -11.412 1.00 1.55 H new ATOM 1329 N VAL A 86 -3.294 -5.858 -9.952 1.00 0.21 N ATOM 1330 CA VAL A 86 -4.319 -5.443 -10.963 1.00 0.22 C ATOM 1331 C VAL A 86 -4.218 -3.939 -11.260 1.00 0.19 C ATOM 1332 O VAL A 86 -4.577 -3.495 -12.332 1.00 0.28 O ATOM 1333 CB VAL A 86 -5.715 -5.760 -10.420 1.00 0.24 C ATOM 1334 CG1 VAL A 86 -6.065 -7.214 -10.744 1.00 0.37 C ATOM 1335 CG2 VAL A 86 -5.722 -5.569 -8.902 1.00 0.33 C ATOM 0 H VAL A 86 -3.189 -5.232 -9.153 1.00 0.21 H new ATOM 0 HA VAL A 86 -4.140 -5.991 -11.888 1.00 0.22 H new ATOM 0 HB VAL A 86 -6.446 -5.094 -10.879 1.00 0.24 H new ATOM 0 HG11 VAL A 86 -7.059 -7.444 -10.359 1.00 0.37 H new ATOM 0 HG12 VAL A 86 -6.052 -7.359 -11.824 1.00 0.37 H new ATOM 0 HG13 VAL A 86 -5.334 -7.876 -10.280 1.00 0.37 H new ATOM 0 HG21 VAL A 86 -6.715 -5.794 -8.512 1.00 0.33 H new ATOM 0 HG22 VAL A 86 -4.993 -6.240 -8.448 1.00 0.33 H new ATOM 0 HG23 VAL A 86 -5.464 -4.537 -8.664 1.00 0.33 H new ATOM 1345 N GLY A 87 -3.730 -3.186 -10.309 1.00 0.07 N ATOM 1346 CA GLY A 87 -3.610 -1.714 -10.537 1.00 0.04 C ATOM 1347 C GLY A 87 -2.379 -1.154 -9.826 1.00 0.05 C ATOM 1348 O GLY A 87 -1.982 -1.643 -8.787 1.00 0.15 O ATOM 0 H GLY A 87 -3.414 -3.519 -9.398 1.00 0.07 H new ATOM 0 HA2 GLY A 87 -3.542 -1.511 -11.606 1.00 0.04 H new ATOM 0 HA3 GLY A 87 -4.506 -1.211 -10.173 1.00 0.04 H new ATOM 1352 N GLU A 88 -1.793 -0.137 -10.403 1.00 0.05 N ATOM 1353 CA GLU A 88 -0.591 0.467 -9.760 1.00 0.07 C ATOM 1354 C GLU A 88 -0.285 1.847 -10.357 1.00 0.05 C ATOM 1355 O GLU A 88 -0.106 1.991 -11.548 1.00 0.12 O ATOM 1356 CB GLU A 88 0.612 -0.457 -9.972 1.00 0.16 C ATOM 1357 CG GLU A 88 0.795 -0.724 -11.470 1.00 0.86 C ATOM 1358 CD GLU A 88 2.093 -0.070 -11.947 1.00 1.08 C ATOM 1359 OE1 GLU A 88 3.120 -0.451 -11.407 1.00 0.96 O ATOM 1360 OE2 GLU A 88 1.986 0.771 -12.824 1.00 2.32 O ATOM 0 H GLU A 88 -2.090 0.295 -11.278 1.00 0.05 H new ATOM 0 HA GLU A 88 -0.789 0.588 -8.695 1.00 0.07 H new ATOM 0 HB2 GLU A 88 1.512 0.000 -9.561 1.00 0.16 H new ATOM 0 HB3 GLU A 88 0.460 -1.396 -9.440 1.00 0.16 H new ATOM 0 HG2 GLU A 88 0.825 -1.797 -11.659 1.00 0.86 H new ATOM 0 HG3 GLU A 88 -0.052 -0.326 -12.028 1.00 0.86 H new ATOM 1367 N PHE A 89 -0.235 2.832 -9.502 1.00 0.04 N ATOM 1368 CA PHE A 89 0.073 4.205 -9.972 1.00 0.02 C ATOM 1369 C PHE A 89 0.878 4.950 -8.901 1.00 0.03 C ATOM 1370 O PHE A 89 0.566 4.879 -7.726 1.00 0.04 O ATOM 1371 CB PHE A 89 -1.242 4.921 -10.254 1.00 0.05 C ATOM 1372 CG PHE A 89 -1.809 5.541 -8.971 1.00 0.06 C ATOM 1373 CD1 PHE A 89 -1.313 6.738 -8.480 1.00 0.09 C ATOM 1374 CD2 PHE A 89 -2.836 4.909 -8.288 1.00 0.17 C ATOM 1375 CE1 PHE A 89 -1.837 7.290 -7.326 1.00 0.16 C ATOM 1376 CE2 PHE A 89 -3.356 5.463 -7.137 1.00 0.23 C ATOM 1377 CZ PHE A 89 -2.858 6.652 -6.657 1.00 0.21 C ATOM 0 H PHE A 89 -0.395 2.741 -8.499 1.00 0.04 H new ATOM 0 HA PHE A 89 0.671 4.172 -10.883 1.00 0.02 H new ATOM 0 HB2 PHE A 89 -1.085 5.699 -11.001 1.00 0.05 H new ATOM 0 HB3 PHE A 89 -1.962 4.218 -10.673 1.00 0.05 H new ATOM 0 HD1 PHE A 89 -0.513 7.242 -9.002 1.00 0.09 H new ATOM 0 HD2 PHE A 89 -3.232 3.976 -8.660 1.00 0.17 H new ATOM 0 HE1 PHE A 89 -1.445 8.223 -6.948 1.00 0.16 H new ATOM 0 HE2 PHE A 89 -4.156 4.962 -6.612 1.00 0.23 H new ATOM 0 HZ PHE A 89 -3.267 7.085 -5.756 1.00 0.21 H new ATOM 1387 N SER A 90 1.901 5.648 -9.330 1.00 0.04 N ATOM 1388 CA SER A 90 2.750 6.388 -8.348 1.00 0.05 C ATOM 1389 C SER A 90 2.419 7.881 -8.353 1.00 0.11 C ATOM 1390 O SER A 90 1.686 8.355 -9.198 1.00 0.23 O ATOM 1391 CB SER A 90 4.220 6.194 -8.714 1.00 0.19 C ATOM 1392 OG SER A 90 4.390 6.967 -9.893 1.00 0.28 O ATOM 0 H SER A 90 2.182 5.737 -10.307 1.00 0.04 H new ATOM 0 HA SER A 90 2.553 5.996 -7.350 1.00 0.05 H new ATOM 0 HB2 SER A 90 4.878 6.536 -7.915 1.00 0.19 H new ATOM 0 HB3 SER A 90 4.451 5.143 -8.890 1.00 0.19 H new ATOM 0 HG SER A 90 5.319 6.898 -10.198 1.00 0.28 H new ATOM 1398 N GLY A 91 2.976 8.587 -7.396 1.00 0.08 N ATOM 1399 CA GLY A 91 2.722 10.057 -7.308 1.00 0.19 C ATOM 1400 C GLY A 91 2.042 10.398 -5.981 1.00 0.25 C ATOM 1401 O GLY A 91 1.243 9.633 -5.477 1.00 0.27 O ATOM 0 H GLY A 91 3.592 8.209 -6.677 1.00 0.08 H new ATOM 0 HA2 GLY A 91 3.662 10.601 -7.393 1.00 0.19 H new ATOM 0 HA3 GLY A 91 2.093 10.375 -8.139 1.00 0.19 H new ATOM 1405 N ALA A 92 2.374 11.538 -5.442 1.00 0.35 N ATOM 1406 CA ALA A 92 1.750 11.946 -4.148 1.00 0.42 C ATOM 1407 C ALA A 92 0.289 12.361 -4.368 1.00 0.47 C ATOM 1408 O ALA A 92 -0.205 13.265 -3.724 1.00 0.94 O ATOM 1409 CB ALA A 92 2.533 13.123 -3.566 1.00 0.50 C ATOM 0 H ALA A 92 3.043 12.200 -5.835 1.00 0.35 H new ATOM 0 HA ALA A 92 1.774 11.103 -3.457 1.00 0.42 H new ATOM 0 HB1 ALA A 92 2.084 13.427 -2.621 1.00 0.50 H new ATOM 0 HB2 ALA A 92 3.567 12.824 -3.396 1.00 0.50 H new ATOM 0 HB3 ALA A 92 2.507 13.959 -4.265 1.00 0.50 H new ATOM 1415 N ASN A 93 -0.370 11.691 -5.276 1.00 0.43 N ATOM 1416 CA ASN A 93 -1.797 12.030 -5.546 1.00 0.49 C ATOM 1417 C ASN A 93 -2.710 11.276 -4.573 1.00 0.45 C ATOM 1418 O ASN A 93 -2.779 10.064 -4.598 1.00 0.53 O ATOM 1419 CB ASN A 93 -2.141 11.631 -6.980 1.00 0.52 C ATOM 1420 CG ASN A 93 -3.128 12.645 -7.563 1.00 0.58 C ATOM 1421 OD1 ASN A 93 -2.921 13.184 -8.632 1.00 0.53 O ATOM 1422 ND2 ASN A 93 -4.211 12.930 -6.895 1.00 0.85 N ATOM 0 H ASN A 93 0.014 10.931 -5.837 1.00 0.43 H new ATOM 0 HA ASN A 93 -1.946 13.101 -5.412 1.00 0.49 H new ATOM 0 HB2 ASN A 93 -1.236 11.596 -7.587 1.00 0.52 H new ATOM 0 HB3 ASN A 93 -2.576 10.632 -6.998 1.00 0.52 H new ATOM 0 HD21 ASN A 93 -4.880 13.603 -7.270 1.00 0.85 H new ATOM 0 HD22 ASN A 93 -4.390 12.480 -5.997 1.00 0.85 H new ATOM 1429 N LYS A 94 -3.391 12.013 -3.736 1.00 0.33 N ATOM 1430 CA LYS A 94 -4.301 11.357 -2.749 1.00 0.28 C ATOM 1431 C LYS A 94 -5.744 11.370 -3.267 1.00 0.27 C ATOM 1432 O LYS A 94 -6.459 10.396 -3.141 1.00 0.23 O ATOM 1433 CB LYS A 94 -4.227 12.104 -1.410 1.00 0.24 C ATOM 1434 CG LYS A 94 -3.766 13.546 -1.648 1.00 0.91 C ATOM 1435 CD LYS A 94 -3.799 14.307 -0.330 1.00 1.11 C ATOM 1436 CE LYS A 94 -3.342 15.750 -0.565 1.00 0.98 C ATOM 1437 NZ LYS A 94 -3.087 15.991 -2.012 1.00 1.29 N ATOM 0 H LYS A 94 -3.358 13.032 -3.692 1.00 0.33 H new ATOM 0 HA LYS A 94 -3.987 10.323 -2.609 1.00 0.28 H new ATOM 0 HB2 LYS A 94 -5.203 12.099 -0.926 1.00 0.24 H new ATOM 0 HB3 LYS A 94 -3.535 11.597 -0.737 1.00 0.24 H new ATOM 0 HG2 LYS A 94 -2.757 13.554 -2.061 1.00 0.91 H new ATOM 0 HG3 LYS A 94 -4.414 14.031 -2.378 1.00 0.91 H new ATOM 0 HD2 LYS A 94 -4.807 14.296 0.084 1.00 1.11 H new ATOM 0 HD3 LYS A 94 -3.150 13.822 0.399 1.00 1.11 H new ATOM 0 HE2 LYS A 94 -4.104 16.441 -0.205 1.00 0.98 H new ATOM 0 HE3 LYS A 94 -2.436 15.948 0.007 1.00 0.98 H new ATOM 0 HZ1 LYS A 94 -2.795 16.979 -2.153 1.00 1.29 H new ATOM 0 HZ2 LYS A 94 -2.332 15.356 -2.342 1.00 1.29 H new ATOM 0 HZ3 LYS A 94 -3.956 15.806 -2.553 1.00 1.29 H new ATOM 1451 N GLU A 95 -6.143 12.475 -3.838 1.00 0.34 N ATOM 1452 CA GLU A 95 -7.532 12.562 -4.366 1.00 0.33 C ATOM 1453 C GLU A 95 -7.771 11.471 -5.417 1.00 0.35 C ATOM 1454 O GLU A 95 -8.893 11.211 -5.801 1.00 0.37 O ATOM 1455 CB GLU A 95 -7.741 13.935 -5.001 1.00 0.34 C ATOM 1456 CG GLU A 95 -9.136 14.449 -4.636 1.00 1.14 C ATOM 1457 CD GLU A 95 -10.183 13.425 -5.079 1.00 2.74 C ATOM 1458 OE1 GLU A 95 -10.491 13.441 -6.260 1.00 3.33 O ATOM 1459 OE2 GLU A 95 -10.616 12.684 -4.213 1.00 3.83 O ATOM 0 H GLU A 95 -5.573 13.312 -3.960 1.00 0.34 H new ATOM 0 HA GLU A 95 -8.236 12.420 -3.546 1.00 0.33 H new ATOM 0 HB2 GLU A 95 -6.980 14.632 -4.650 1.00 0.34 H new ATOM 0 HB3 GLU A 95 -7.636 13.868 -6.084 1.00 0.34 H new ATOM 0 HG2 GLU A 95 -9.205 14.615 -3.561 1.00 1.14 H new ATOM 0 HG3 GLU A 95 -9.321 15.408 -5.120 1.00 1.14 H new ATOM 1466 N LYS A 96 -6.706 10.858 -5.857 1.00 0.36 N ATOM 1467 CA LYS A 96 -6.849 9.780 -6.882 1.00 0.39 C ATOM 1468 C LYS A 96 -7.184 8.448 -6.198 1.00 0.37 C ATOM 1469 O LYS A 96 -7.989 7.680 -6.685 1.00 0.38 O ATOM 1470 CB LYS A 96 -5.530 9.647 -7.645 1.00 0.42 C ATOM 1471 CG LYS A 96 -5.704 8.638 -8.784 1.00 0.47 C ATOM 1472 CD LYS A 96 -4.427 8.607 -9.625 1.00 0.99 C ATOM 1473 CE LYS A 96 -4.541 9.639 -10.750 1.00 0.61 C ATOM 1474 NZ LYS A 96 -5.689 9.316 -11.642 1.00 1.75 N ATOM 0 H LYS A 96 -5.751 11.053 -5.556 1.00 0.36 H new ATOM 0 HA LYS A 96 -7.654 10.034 -7.571 1.00 0.39 H new ATOM 0 HB2 LYS A 96 -5.228 10.615 -8.044 1.00 0.42 H new ATOM 0 HB3 LYS A 96 -4.738 9.319 -6.971 1.00 0.42 H new ATOM 0 HG2 LYS A 96 -5.912 7.647 -8.380 1.00 0.47 H new ATOM 0 HG3 LYS A 96 -6.556 8.915 -9.405 1.00 0.47 H new ATOM 0 HD2 LYS A 96 -3.561 8.826 -9.001 1.00 0.99 H new ATOM 0 HD3 LYS A 96 -4.276 7.611 -10.042 1.00 0.99 H new ATOM 0 HE2 LYS A 96 -4.672 10.635 -10.326 1.00 0.61 H new ATOM 0 HE3 LYS A 96 -3.618 9.658 -11.329 1.00 0.61 H new ATOM 0 HZ1 LYS A 96 -5.470 9.617 -12.613 1.00 1.75 H new ATOM 0 HZ2 LYS A 96 -5.861 8.290 -11.628 1.00 1.75 H new ATOM 0 HZ3 LYS A 96 -6.539 9.814 -11.308 1.00 1.75 H new ATOM 1488 N LEU A 97 -6.553 8.211 -5.083 1.00 0.37 N ATOM 1489 CA LEU A 97 -6.813 6.943 -4.336 1.00 0.35 C ATOM 1490 C LEU A 97 -8.321 6.671 -4.258 1.00 0.38 C ATOM 1491 O LEU A 97 -8.786 5.624 -4.659 1.00 0.37 O ATOM 1492 CB LEU A 97 -6.257 7.088 -2.920 1.00 0.38 C ATOM 1493 CG LEU A 97 -4.728 6.932 -2.953 1.00 0.36 C ATOM 1494 CD1 LEU A 97 -4.162 7.328 -1.588 1.00 0.41 C ATOM 1495 CD2 LEU A 97 -4.349 5.470 -3.258 1.00 0.46 C ATOM 0 H LEU A 97 -5.870 8.836 -4.655 1.00 0.37 H new ATOM 0 HA LEU A 97 -6.331 6.113 -4.853 1.00 0.35 H new ATOM 0 HB2 LEU A 97 -6.525 8.062 -2.510 1.00 0.38 H new ATOM 0 HB3 LEU A 97 -6.696 6.335 -2.266 1.00 0.38 H new ATOM 0 HG LEU A 97 -4.316 7.573 -3.732 1.00 0.36 H new ATOM 0 HD11 LEU A 97 -3.077 7.221 -1.599 1.00 0.41 H new ATOM 0 HD12 LEU A 97 -4.423 8.364 -1.373 1.00 0.41 H new ATOM 0 HD13 LEU A 97 -4.582 6.681 -0.818 1.00 0.41 H new ATOM 0 HD21 LEU A 97 -3.264 5.372 -3.279 1.00 0.46 H new ATOM 0 HD22 LEU A 97 -4.757 4.819 -2.485 1.00 0.46 H new ATOM 0 HD23 LEU A 97 -4.758 5.183 -4.227 1.00 0.46 H new ATOM 1507 N GLU A 98 -9.047 7.624 -3.739 1.00 0.42 N ATOM 1508 CA GLU A 98 -10.527 7.443 -3.612 1.00 0.45 C ATOM 1509 C GLU A 98 -11.110 6.811 -4.875 1.00 0.43 C ATOM 1510 O GLU A 98 -11.505 5.663 -4.878 1.00 0.38 O ATOM 1511 CB GLU A 98 -11.177 8.807 -3.382 1.00 0.56 C ATOM 1512 CG GLU A 98 -12.668 8.612 -3.096 1.00 0.56 C ATOM 1513 CD GLU A 98 -13.312 9.971 -2.816 1.00 0.98 C ATOM 1514 OE1 GLU A 98 -12.854 10.604 -1.880 1.00 0.97 O ATOM 1515 OE2 GLU A 98 -14.224 10.301 -3.556 1.00 2.07 O ATOM 0 H GLU A 98 -8.685 8.515 -3.399 1.00 0.42 H new ATOM 0 HA GLU A 98 -10.728 6.780 -2.771 1.00 0.45 H new ATOM 0 HB2 GLU A 98 -10.697 9.315 -2.546 1.00 0.56 H new ATOM 0 HB3 GLU A 98 -11.042 9.440 -4.259 1.00 0.56 H new ATOM 0 HG2 GLU A 98 -13.154 8.135 -3.947 1.00 0.56 H new ATOM 0 HG3 GLU A 98 -12.802 7.950 -2.240 1.00 0.56 H new ATOM 1522 N ALA A 99 -11.150 7.578 -5.916 1.00 0.49 N ATOM 1523 CA ALA A 99 -11.717 7.056 -7.197 1.00 0.51 C ATOM 1524 C ALA A 99 -11.052 5.730 -7.584 1.00 0.44 C ATOM 1525 O ALA A 99 -11.705 4.823 -8.061 1.00 0.46 O ATOM 1526 CB ALA A 99 -11.487 8.084 -8.303 1.00 0.58 C ATOM 0 H ALA A 99 -10.818 8.542 -5.945 1.00 0.49 H new ATOM 0 HA ALA A 99 -12.785 6.882 -7.064 1.00 0.51 H new ATOM 0 HB1 ALA A 99 -11.899 7.709 -9.240 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -11.980 9.019 -8.039 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -10.418 8.259 -8.421 1.00 0.58 H new ATOM 1532 N THR A 100 -9.767 5.644 -7.375 1.00 0.38 N ATOM 1533 CA THR A 100 -9.056 4.381 -7.734 1.00 0.34 C ATOM 1534 C THR A 100 -9.686 3.191 -7.005 1.00 0.34 C ATOM 1535 O THR A 100 -9.953 2.170 -7.603 1.00 0.34 O ATOM 1536 CB THR A 100 -7.584 4.505 -7.346 1.00 0.30 C ATOM 1537 OG1 THR A 100 -7.178 5.763 -7.869 1.00 0.31 O ATOM 1538 CG2 THR A 100 -6.725 3.471 -8.070 1.00 0.32 C ATOM 0 H THR A 100 -9.184 6.381 -6.977 1.00 0.38 H new ATOM 0 HA THR A 100 -9.140 4.215 -8.808 1.00 0.34 H new ATOM 0 HB THR A 100 -7.470 4.381 -6.269 1.00 0.30 H new ATOM 0 HG1 THR A 100 -7.334 6.461 -7.199 1.00 0.31 H new ATOM 0 HG21 THR A 100 -5.684 3.589 -7.770 1.00 0.32 H new ATOM 0 HG22 THR A 100 -7.066 2.469 -7.811 1.00 0.32 H new ATOM 0 HG23 THR A 100 -6.811 3.616 -9.147 1.00 0.32 H new ATOM 1546 N ILE A 101 -9.905 3.340 -5.726 1.00 0.35 N ATOM 1547 CA ILE A 101 -10.533 2.220 -4.969 1.00 0.37 C ATOM 1548 C ILE A 101 -11.897 1.925 -5.568 1.00 0.38 C ATOM 1549 O ILE A 101 -12.330 0.791 -5.624 1.00 0.37 O ATOM 1550 CB ILE A 101 -10.683 2.617 -3.500 1.00 0.39 C ATOM 1551 CG1 ILE A 101 -9.312 2.547 -2.821 1.00 0.26 C ATOM 1552 CG2 ILE A 101 -11.641 1.647 -2.808 1.00 0.44 C ATOM 1553 CD1 ILE A 101 -9.218 3.648 -1.762 1.00 0.65 C ATOM 0 H ILE A 101 -9.681 4.173 -5.181 1.00 0.35 H new ATOM 0 HA ILE A 101 -9.907 1.330 -5.033 1.00 0.37 H new ATOM 0 HB ILE A 101 -11.078 3.630 -3.430 1.00 0.39 H new ATOM 0 HG12 ILE A 101 -9.171 1.569 -2.360 1.00 0.26 H new ATOM 0 HG13 ILE A 101 -8.520 2.668 -3.560 1.00 0.26 H new ATOM 0 HG21 ILE A 101 -11.750 1.928 -1.760 1.00 0.44 H new ATOM 0 HG22 ILE A 101 -12.614 1.686 -3.297 1.00 0.44 H new ATOM 0 HG23 ILE A 101 -11.243 0.634 -2.873 1.00 0.44 H new ATOM 0 HD11 ILE A 101 -8.244 3.603 -1.275 1.00 0.65 H new ATOM 0 HD12 ILE A 101 -9.341 4.621 -2.237 1.00 0.65 H new ATOM 0 HD13 ILE A 101 -10.002 3.505 -1.018 1.00 0.65 H new ATOM 1565 N ASN A 102 -12.545 2.958 -6.007 1.00 0.42 N ATOM 1566 CA ASN A 102 -13.878 2.774 -6.635 1.00 0.45 C ATOM 1567 C ASN A 102 -13.698 2.018 -7.948 1.00 0.45 C ATOM 1568 O ASN A 102 -14.646 1.533 -8.533 1.00 0.48 O ATOM 1569 CB ASN A 102 -14.490 4.145 -6.912 1.00 0.49 C ATOM 1570 CG ASN A 102 -15.982 4.116 -6.578 1.00 0.47 C ATOM 1571 OD1 ASN A 102 -16.635 3.097 -6.683 1.00 0.60 O ATOM 1572 ND2 ASN A 102 -16.559 5.214 -6.171 1.00 0.88 N ATOM 0 H ASN A 102 -12.213 3.921 -5.960 1.00 0.42 H new ATOM 0 HA ASN A 102 -14.536 2.211 -5.973 1.00 0.45 H new ATOM 0 HB2 ASN A 102 -13.988 4.906 -6.315 1.00 0.49 H new ATOM 0 HB3 ASN A 102 -14.346 4.414 -7.958 1.00 0.49 H new ATOM 0 HD21 ASN A 102 -17.553 5.213 -5.943 1.00 0.88 H new ATOM 0 HD22 ASN A 102 -16.016 6.073 -6.081 1.00 0.88 H new ATOM 1579 N GLU A 103 -12.465 1.936 -8.377 1.00 0.42 N ATOM 1580 CA GLU A 103 -12.169 1.224 -9.651 1.00 0.42 C ATOM 1581 C GLU A 103 -12.265 -0.296 -9.461 1.00 0.42 C ATOM 1582 O GLU A 103 -12.853 -0.983 -10.274 1.00 0.46 O ATOM 1583 CB GLU A 103 -10.752 1.591 -10.101 1.00 0.41 C ATOM 1584 CG GLU A 103 -10.647 1.424 -11.619 1.00 0.49 C ATOM 1585 CD GLU A 103 -11.115 2.710 -12.302 1.00 0.73 C ATOM 1586 OE1 GLU A 103 -10.309 3.624 -12.346 1.00 0.79 O ATOM 1587 OE2 GLU A 103 -12.254 2.706 -12.742 1.00 1.93 O ATOM 0 H GLU A 103 -11.654 2.331 -7.900 1.00 0.42 H new ATOM 0 HA GLU A 103 -12.898 1.523 -10.404 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -10.523 2.619 -9.819 1.00 0.41 H new ATOM 0 HB3 GLU A 103 -10.022 0.954 -9.602 1.00 0.41 H new ATOM 0 HG2 GLU A 103 -9.618 1.202 -11.902 1.00 0.49 H new ATOM 0 HG3 GLU A 103 -11.256 0.582 -11.947 1.00 0.49 H new ATOM 1594 N LEU A 104 -11.689 -0.790 -8.389 1.00 0.40 N ATOM 1595 CA LEU A 104 -11.728 -2.270 -8.149 1.00 0.41 C ATOM 1596 C LEU A 104 -12.778 -2.631 -7.088 1.00 0.47 C ATOM 1597 O LEU A 104 -13.024 -3.794 -6.832 1.00 0.55 O ATOM 1598 CB LEU A 104 -10.350 -2.736 -7.677 1.00 0.41 C ATOM 1599 CG LEU A 104 -9.268 -2.111 -8.564 1.00 0.41 C ATOM 1600 CD1 LEU A 104 -7.910 -2.710 -8.195 1.00 0.45 C ATOM 1601 CD2 LEU A 104 -9.572 -2.424 -10.033 1.00 0.44 C ATOM 0 H LEU A 104 -11.201 -0.243 -7.680 1.00 0.40 H new ATOM 0 HA LEU A 104 -11.998 -2.766 -9.081 1.00 0.41 H new ATOM 0 HB2 LEU A 104 -10.194 -2.449 -6.637 1.00 0.41 H new ATOM 0 HB3 LEU A 104 -10.287 -3.823 -7.720 1.00 0.41 H new ATOM 0 HG LEU A 104 -9.250 -1.031 -8.415 1.00 0.41 H new ATOM 0 HD11 LEU A 104 -7.135 -2.269 -8.823 1.00 0.45 H new ATOM 0 HD12 LEU A 104 -7.692 -2.500 -7.148 1.00 0.45 H new ATOM 0 HD13 LEU A 104 -7.934 -3.789 -8.351 1.00 0.45 H new ATOM 0 HD21 LEU A 104 -8.804 -1.980 -10.666 1.00 0.44 H new ATOM 0 HD22 LEU A 104 -9.584 -3.504 -10.180 1.00 0.44 H new ATOM 0 HD23 LEU A 104 -10.545 -2.011 -10.299 1.00 0.44 H new ATOM 1613 N VAL A 105 -13.376 -1.635 -6.494 1.00 0.45 N ATOM 1614 CA VAL A 105 -14.408 -1.923 -5.448 1.00 0.54 C ATOM 1615 C VAL A 105 -15.384 -2.991 -5.950 1.00 0.58 C ATOM 1616 O VAL A 105 -15.678 -2.942 -7.133 1.00 1.33 O ATOM 1617 CB VAL A 105 -15.174 -0.642 -5.130 1.00 0.57 C ATOM 1618 CG1 VAL A 105 -16.017 -0.245 -6.342 1.00 0.58 C ATOM 1619 CG2 VAL A 105 -16.099 -0.889 -3.936 1.00 0.79 C ATOM 1620 OXT VAL A 105 -15.781 -3.793 -5.121 1.00 0.97 O ATOM 0 H VAL A 105 -13.201 -0.648 -6.681 1.00 0.45 H new ATOM 0 HA VAL A 105 -13.913 -2.291 -4.549 1.00 0.54 H new ATOM 0 HB VAL A 105 -14.470 0.156 -4.892 1.00 0.57 H new ATOM 0 HG11 VAL A 105 -16.566 0.670 -6.119 1.00 0.58 H new ATOM 0 HG12 VAL A 105 -15.365 -0.077 -7.199 1.00 0.58 H new ATOM 0 HG13 VAL A 105 -16.722 -1.044 -6.573 1.00 0.58 H new ATOM 0 HG21 VAL A 105 -16.648 0.024 -3.706 1.00 0.79 H new ATOM 0 HG22 VAL A 105 -16.804 -1.684 -4.180 1.00 0.79 H new ATOM 0 HG23 VAL A 105 -15.505 -1.183 -3.071 1.00 0.79 H new