USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot -112:sc= 0.0308 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 59 MET CE :methyl 153:sc= 0 (180deg=-0.795) USER MOD Single : A 60 THR OG1 : rot -110:sc= -0.588 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= -0.0111 (180deg=-0.103) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -102:sc= 1.24 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0179 (180deg=-0.147) USER MOD Single : A 72 ASN : amide:sc= -0.789 K(o=-0.79,f=-0.024) USER MOD Single : A 74 SER OG : rot -67:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -154:sc= 0 (180deg=-0.413) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 86:sc= 0.0775 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 120:sc= 0.0639 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -118:sc= 0.744 USER MOD Single : A 103 MET CE :methyl -128:sc= -0.131 (180deg=-2.45) USER MOD Single : A 108 LYS NZ :NH3+ -127:sc= -0.57 (180deg=-1.95!) USER MOD Single : A 109 THR OG1 : rot -121:sc= -3.36! USER MOD Single : A 111 SER OG : rot 113:sc= 1.34 USER MOD Single : A 113 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 115 MET CE :methyl 155:sc= -0.138 (180deg=-1.03) USER MOD Single : A 117 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.91) USER MOD Single : A 120 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 133 SER OG : rot -170:sc= -0.177 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 10.165 5.147 2.178 1.00 0.25 N ATOM 17 CA MET A 59 8.905 4.482 1.835 1.00 0.17 C ATOM 18 C MET A 59 8.019 5.332 0.929 1.00 0.20 C ATOM 19 O MET A 59 7.553 6.399 1.309 1.00 0.29 O ATOM 20 CB MET A 59 8.138 4.082 3.101 1.00 0.16 C ATOM 21 CG MET A 59 7.914 5.221 4.088 1.00 0.25 C ATOM 22 SD MET A 59 7.177 4.657 5.632 1.00 0.75 S ATOM 23 CE MET A 59 7.051 6.201 6.531 1.00 0.59 C ATOM 0 HA MET A 59 9.170 3.584 1.277 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.170 3.673 2.811 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.683 3.283 3.604 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.866 5.707 4.300 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.267 5.971 3.633 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.231 6.140 7.246 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.983 6.389 7.063 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.862 7.015 5.831 1.00 0.59 H new ATOM 33 N THR A 60 7.786 4.829 -0.267 1.00 0.19 N ATOM 34 CA THR A 60 6.944 5.491 -1.245 1.00 0.22 C ATOM 35 C THR A 60 5.475 5.194 -0.983 1.00 0.18 C ATOM 36 O THR A 60 5.069 4.042 -0.906 1.00 0.17 O ATOM 37 CB THR A 60 7.325 5.048 -2.669 1.00 0.29 C ATOM 38 OG1 THR A 60 8.671 5.459 -2.953 1.00 0.37 O ATOM 39 CG2 THR A 60 6.373 5.623 -3.706 1.00 0.34 C ATOM 0 H THR A 60 8.178 3.944 -0.590 1.00 0.19 H new ATOM 0 HA THR A 60 7.101 6.566 -1.155 1.00 0.22 H new ATOM 0 HB THR A 60 7.252 3.962 -2.721 1.00 0.29 H new ATOM 0 HG1 THR A 60 8.660 6.177 -3.620 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.673 5.289 -4.700 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.359 5.281 -3.499 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.404 6.712 -3.664 1.00 0.34 H new ATOM 47 N ARG A 61 4.688 6.244 -0.860 1.00 0.20 N ATOM 48 CA ARG A 61 3.298 6.120 -0.466 1.00 0.18 C ATOM 49 C ARG A 61 2.397 6.026 -1.691 1.00 0.17 C ATOM 50 O ARG A 61 2.415 6.909 -2.544 1.00 0.18 O ATOM 51 CB ARG A 61 2.924 7.336 0.375 1.00 0.22 C ATOM 52 CG ARG A 61 1.755 7.125 1.307 1.00 0.33 C ATOM 53 CD ARG A 61 1.476 8.394 2.097 1.00 0.42 C ATOM 54 NE ARG A 61 0.960 8.108 3.433 1.00 0.84 N ATOM 55 CZ ARG A 61 0.105 8.892 4.089 1.00 1.13 C ATOM 56 NH1 ARG A 61 -0.300 10.039 3.552 1.00 1.32 N ATOM 57 NH2 ARG A 61 -0.326 8.535 5.291 1.00 1.91 N ATOM 0 H ARG A 61 4.991 7.203 -1.029 1.00 0.20 H new ATOM 0 HA ARG A 61 3.163 5.208 0.116 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.791 7.634 0.964 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.693 8.165 -0.293 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.871 6.843 0.735 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.969 6.303 1.990 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.393 8.977 2.180 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.756 9.007 1.555 1.00 0.42 H new ATOM 0 HE ARG A 61 1.274 7.254 3.893 1.00 0.84 H new ATOM 0 HH11 ARG A 61 0.044 10.322 2.634 1.00 1.32 H new ATOM 0 HH12 ARG A 61 -0.955 10.636 4.058 1.00 1.32 H new ATOM 0 HH21 ARG A 61 -0.003 7.663 5.710 1.00 1.91 H new ATOM 0 HH22 ARG A 61 -0.980 9.132 5.796 1.00 1.91 H new ATOM 71 N LEU A 62 1.653 4.933 -1.795 1.00 0.16 N ATOM 72 CA LEU A 62 0.657 4.777 -2.851 1.00 0.15 C ATOM 73 C LEU A 62 -0.737 4.860 -2.260 1.00 0.12 C ATOM 74 O LEU A 62 -1.090 4.062 -1.389 1.00 0.20 O ATOM 75 CB LEU A 62 0.800 3.437 -3.606 1.00 0.23 C ATOM 76 CG LEU A 62 1.901 2.493 -3.134 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.720 1.148 -3.796 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.283 3.049 -3.457 1.00 0.32 C ATOM 0 H LEU A 62 1.720 4.138 -1.160 1.00 0.16 H new ATOM 0 HA LEU A 62 0.822 5.584 -3.565 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.151 2.908 -3.542 1.00 0.23 H new ATOM 0 HB3 LEU A 62 0.971 3.658 -4.660 1.00 0.23 H new ATOM 0 HG LEU A 62 1.828 2.388 -2.052 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.505 0.469 -3.462 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.747 0.738 -3.527 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.778 1.264 -4.878 1.00 0.28 H new ATOM 0 HD21 LEU A 62 4.046 2.353 -3.108 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.379 3.182 -4.535 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.414 4.010 -2.960 1.00 0.32 H new ATOM 90 N MET A 63 -1.520 5.833 -2.702 1.00 0.10 N ATOM 91 CA MET A 63 -2.893 5.935 -2.247 1.00 0.13 C ATOM 92 C MET A 63 -3.746 4.858 -2.897 1.00 0.18 C ATOM 93 O MET A 63 -3.777 4.708 -4.120 1.00 0.39 O ATOM 94 CB MET A 63 -3.479 7.338 -2.498 1.00 0.18 C ATOM 95 CG MET A 63 -3.786 7.666 -3.954 1.00 0.29 C ATOM 96 SD MET A 63 -5.477 7.241 -4.431 1.00 1.09 S ATOM 97 CE MET A 63 -5.463 7.704 -6.160 1.00 1.80 C ATOM 0 H MET A 63 -1.231 6.552 -3.365 1.00 0.10 H new ATOM 0 HA MET A 63 -2.899 5.778 -1.168 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.397 7.439 -1.919 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.778 8.080 -2.116 1.00 0.18 H new ATOM 0 HG2 MET A 63 -3.623 8.730 -4.123 1.00 0.29 H new ATOM 0 HG3 MET A 63 -3.087 7.130 -4.597 1.00 0.29 H new ATOM 0 HE1 MET A 63 -6.440 7.502 -6.599 1.00 1.80 H new ATOM 0 HE2 MET A 63 -5.238 8.767 -6.250 1.00 1.80 H new ATOM 0 HE3 MET A 63 -4.703 7.126 -6.685 1.00 1.80 H new ATOM 107 N VAL A 64 -4.376 4.069 -2.057 1.00 0.11 N ATOM 108 CA VAL A 64 -5.332 3.081 -2.493 1.00 0.11 C ATOM 109 C VAL A 64 -6.715 3.544 -2.079 1.00 0.16 C ATOM 110 O VAL A 64 -6.883 4.037 -0.979 1.00 0.42 O ATOM 111 CB VAL A 64 -5.037 1.706 -1.854 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.081 0.691 -2.261 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.648 1.214 -2.226 1.00 0.18 C ATOM 0 H VAL A 64 -4.238 4.096 -1.047 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.268 2.971 -3.576 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.075 1.828 -0.772 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.854 -0.270 -1.800 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.064 1.028 -1.932 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.079 0.582 -3.346 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.469 0.244 -1.762 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.574 1.117 -3.309 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.903 1.928 -1.874 1.00 0.18 H new ATOM 123 N THR A 65 -7.695 3.441 -2.949 1.00 0.19 N ATOM 124 CA THR A 65 -9.036 3.834 -2.559 1.00 0.19 C ATOM 125 C THR A 65 -9.992 2.657 -2.535 1.00 0.20 C ATOM 126 O THR A 65 -10.102 1.900 -3.501 1.00 0.24 O ATOM 127 CB THR A 65 -9.601 4.940 -3.456 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.004 4.877 -4.758 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.366 6.310 -2.839 1.00 0.25 C ATOM 0 H THR A 65 -7.598 3.099 -3.905 1.00 0.19 H new ATOM 0 HA THR A 65 -8.946 4.227 -1.546 1.00 0.19 H new ATOM 0 HB THR A 65 -10.676 4.786 -3.551 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.374 5.587 -5.322 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.776 7.079 -3.494 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.858 6.361 -1.868 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.296 6.473 -2.713 1.00 0.25 H new ATOM 137 N GLU A 66 -10.681 2.513 -1.419 1.00 0.20 N ATOM 138 CA GLU A 66 -11.670 1.472 -1.253 1.00 0.22 C ATOM 139 C GLU A 66 -13.051 2.009 -1.608 1.00 0.24 C ATOM 140 O GLU A 66 -13.599 2.865 -0.908 1.00 0.31 O ATOM 141 CB GLU A 66 -11.670 0.933 0.178 1.00 0.25 C ATOM 142 CG GLU A 66 -10.332 0.386 0.639 1.00 0.35 C ATOM 143 CD GLU A 66 -9.376 1.466 1.095 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.598 2.045 2.175 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.406 1.746 0.357 1.00 0.92 O ATOM 0 H GLU A 66 -10.569 3.116 -0.604 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.417 0.651 -1.923 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.976 1.731 0.854 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.418 0.144 0.257 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.495 -0.316 1.457 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.875 -0.175 -0.176 1.00 0.35 H new ATOM 152 N LYS A 67 -13.608 1.513 -2.700 1.00 0.23 N ATOM 153 CA LYS A 67 -14.929 1.934 -3.151 1.00 0.26 C ATOM 154 C LYS A 67 -15.632 0.768 -3.818 1.00 0.26 C ATOM 155 O LYS A 67 -15.124 -0.339 -3.779 1.00 0.27 O ATOM 156 CB LYS A 67 -14.841 3.133 -4.115 1.00 0.32 C ATOM 157 CG LYS A 67 -13.967 2.902 -5.348 1.00 0.36 C ATOM 158 CD LYS A 67 -12.496 3.181 -5.067 1.00 0.34 C ATOM 159 CE LYS A 67 -11.613 2.903 -6.280 1.00 0.53 C ATOM 160 NZ LYS A 67 -11.980 3.743 -7.452 1.00 0.93 N ATOM 0 H LYS A 67 -13.165 0.814 -3.296 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.503 2.256 -2.282 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -15.848 3.391 -4.444 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.454 3.993 -3.568 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.082 1.872 -5.686 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.309 3.544 -6.160 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.377 4.221 -4.764 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.165 2.566 -4.230 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.571 3.086 -6.017 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -11.693 1.850 -6.551 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.263 3.631 -8.197 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -12.907 3.445 -7.816 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.026 4.741 -7.163 1.00 0.93 H new ATOM 174 N GLN A 68 -16.783 1.005 -4.444 1.00 0.33 N ATOM 175 CA GLN A 68 -17.528 -0.065 -5.127 1.00 0.41 C ATOM 176 C GLN A 68 -16.630 -0.848 -6.094 1.00 0.42 C ATOM 177 O GLN A 68 -16.974 -1.936 -6.549 1.00 0.53 O ATOM 178 CB GLN A 68 -18.721 0.521 -5.884 1.00 0.49 C ATOM 179 CG GLN A 68 -18.331 1.534 -6.950 1.00 1.52 C ATOM 180 CD GLN A 68 -19.504 1.958 -7.809 1.00 2.26 C ATOM 181 OE1 GLN A 68 -20.200 2.926 -7.506 1.00 2.79 O ATOM 182 NE2 GLN A 68 -19.727 1.235 -8.893 1.00 3.05 N ATOM 0 H GLN A 68 -17.224 1.923 -4.496 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.887 -0.757 -4.365 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -19.277 -0.291 -6.353 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -19.394 0.998 -5.171 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -17.901 2.413 -6.470 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -17.556 1.106 -7.586 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -19.126 0.440 -9.108 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -20.500 1.473 -9.514 1.00 3.05 H new ATOM 191 N GLU A 69 -15.484 -0.263 -6.399 1.00 0.36 N ATOM 192 CA GLU A 69 -14.470 -0.885 -7.227 1.00 0.40 C ATOM 193 C GLU A 69 -13.499 -1.717 -6.389 1.00 0.33 C ATOM 194 O GLU A 69 -13.395 -2.932 -6.559 1.00 0.39 O ATOM 195 CB GLU A 69 -13.703 0.221 -7.924 1.00 0.45 C ATOM 196 CG GLU A 69 -12.712 -0.253 -8.969 1.00 1.10 C ATOM 197 CD GLU A 69 -12.184 0.899 -9.794 1.00 1.52 C ATOM 198 OE1 GLU A 69 -12.889 1.356 -10.715 1.00 1.63 O ATOM 199 OE2 GLU A 69 -11.044 1.331 -9.543 1.00 2.34 O ATOM 0 H GLU A 69 -15.230 0.670 -6.073 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.949 -1.552 -7.943 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.416 0.895 -8.399 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.168 0.802 -7.173 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.882 -0.762 -8.480 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -13.192 -0.981 -9.623 1.00 1.10 H new ATOM 206 N SER A 70 -12.807 -1.054 -5.467 1.00 0.27 N ATOM 207 CA SER A 70 -11.697 -1.670 -4.752 1.00 0.22 C ATOM 208 C SER A 70 -11.995 -1.859 -3.267 1.00 0.17 C ATOM 209 O SER A 70 -11.075 -2.012 -2.469 1.00 0.16 O ATOM 210 CB SER A 70 -10.449 -0.804 -4.906 1.00 0.26 C ATOM 211 OG SER A 70 -10.322 -0.331 -6.237 1.00 0.59 O ATOM 0 H SER A 70 -12.997 -0.089 -5.198 1.00 0.27 H new ATOM 0 HA SER A 70 -11.538 -2.657 -5.186 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.501 0.041 -4.219 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.565 -1.381 -4.635 1.00 0.26 H new ATOM 0 HG SER A 70 -9.652 -0.866 -6.712 1.00 0.59 H new ATOM 217 N LYS A 71 -13.269 -1.845 -2.885 1.00 0.19 N ATOM 218 CA LYS A 71 -13.639 -2.092 -1.497 1.00 0.20 C ATOM 219 C LYS A 71 -13.115 -3.439 -1.007 1.00 0.19 C ATOM 220 O LYS A 71 -12.962 -3.648 0.192 1.00 0.22 O ATOM 221 CB LYS A 71 -15.152 -2.034 -1.292 1.00 0.32 C ATOM 222 CG LYS A 71 -15.660 -0.674 -0.829 1.00 0.59 C ATOM 223 CD LYS A 71 -15.165 -0.322 0.571 1.00 0.42 C ATOM 224 CE LYS A 71 -15.723 -1.254 1.634 1.00 1.12 C ATOM 225 NZ LYS A 71 -17.199 -1.142 1.753 1.00 1.70 N ATOM 0 H LYS A 71 -14.055 -1.667 -3.511 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.176 -1.297 -0.912 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.646 -2.296 -2.228 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.439 -2.787 -0.558 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.334 0.093 -1.532 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.750 -0.672 -0.839 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -14.076 -0.364 0.590 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -15.448 0.704 0.806 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.456 -2.282 1.391 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.263 -1.024 2.595 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.518 -1.647 2.604 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -17.466 -0.140 1.825 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.648 -1.561 0.913 1.00 1.70 H new ATOM 239 N ASN A 72 -12.850 -4.345 -1.940 1.00 0.19 N ATOM 240 CA ASN A 72 -12.245 -5.635 -1.620 1.00 0.22 C ATOM 241 C ASN A 72 -10.925 -5.438 -0.885 1.00 0.20 C ATOM 242 O ASN A 72 -10.567 -6.211 0.005 1.00 0.27 O ATOM 243 CB ASN A 72 -12.003 -6.430 -2.905 1.00 0.26 C ATOM 244 CG ASN A 72 -11.475 -7.831 -2.647 1.00 1.15 C ATOM 245 OD1 ASN A 72 -10.665 -8.352 -3.414 1.00 2.13 O ATOM 246 ND2 ASN A 72 -11.955 -8.466 -1.588 1.00 1.62 N ATOM 0 H ASN A 72 -13.046 -4.210 -2.932 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.928 -6.187 -0.975 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -12.936 -6.497 -3.465 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.293 -5.890 -3.531 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -11.655 -9.419 -1.386 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -12.625 -8.001 -0.975 1.00 1.62 H new ATOM 253 N PHE A 73 -10.226 -4.376 -1.240 1.00 0.16 N ATOM 254 CA PHE A 73 -8.923 -4.092 -0.673 1.00 0.14 C ATOM 255 C PHE A 73 -9.027 -3.690 0.798 1.00 0.14 C ATOM 256 O PHE A 73 -8.065 -3.850 1.552 1.00 0.14 O ATOM 257 CB PHE A 73 -8.229 -2.984 -1.473 1.00 0.14 C ATOM 258 CG PHE A 73 -6.868 -2.645 -0.949 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.755 -3.327 -1.404 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.696 -1.625 -0.028 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.499 -3.003 -0.946 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.437 -1.296 0.425 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.365 -2.053 0.076 1.00 0.15 C ATOM 0 H PHE A 73 -10.544 -3.690 -1.925 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.329 -5.004 -0.730 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.144 -3.295 -2.514 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.851 -2.089 -1.458 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.873 -4.122 -2.126 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.556 -1.083 0.338 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.625 -3.476 -1.369 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.302 -0.433 1.060 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.419 -1.924 0.581 1.00 0.15 H new ATOM 273 N SER A 74 -10.198 -3.197 1.205 1.00 0.16 N ATOM 274 CA SER A 74 -10.373 -2.650 2.548 1.00 0.18 C ATOM 275 C SER A 74 -9.919 -3.644 3.617 1.00 0.18 C ATOM 276 O SER A 74 -9.237 -3.276 4.568 1.00 0.24 O ATOM 277 CB SER A 74 -11.830 -2.240 2.789 1.00 0.23 C ATOM 278 OG SER A 74 -12.708 -3.357 2.756 1.00 0.71 O ATOM 0 H SER A 74 -11.036 -3.166 0.624 1.00 0.16 H new ATOM 0 HA SER A 74 -9.746 -1.761 2.622 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.912 -1.743 3.755 1.00 0.23 H new ATOM 0 HB3 SER A 74 -12.134 -1.517 2.032 1.00 0.23 H new ATOM 0 HG SER A 74 -12.740 -3.721 1.847 1.00 0.71 H new ATOM 284 N LYS A 75 -10.286 -4.909 3.448 1.00 0.16 N ATOM 285 CA LYS A 75 -9.890 -5.939 4.396 1.00 0.18 C ATOM 286 C LYS A 75 -8.539 -6.543 4.047 1.00 0.15 C ATOM 287 O LYS A 75 -7.888 -7.132 4.906 1.00 0.20 O ATOM 288 CB LYS A 75 -10.935 -7.049 4.484 1.00 0.24 C ATOM 289 CG LYS A 75 -12.204 -6.653 5.226 1.00 0.76 C ATOM 290 CD LYS A 75 -11.910 -6.178 6.647 1.00 0.90 C ATOM 291 CE LYS A 75 -11.074 -7.185 7.433 1.00 1.87 C ATOM 292 NZ LYS A 75 -11.757 -8.498 7.578 1.00 2.17 N ATOM 0 H LYS A 75 -10.853 -5.243 2.669 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.810 -5.449 5.366 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.201 -7.364 3.475 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.491 -7.912 4.980 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.713 -5.861 4.677 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -12.884 -7.504 5.261 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.384 -5.224 6.607 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -12.850 -6.002 7.171 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -10.117 -7.330 6.931 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -10.857 -6.780 8.422 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -11.150 -9.147 8.118 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -12.658 -8.367 8.081 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -11.941 -8.899 6.636 1.00 2.17 H new ATOM 306 N MET A 76 -8.115 -6.399 2.796 1.00 0.13 N ATOM 307 CA MET A 76 -6.834 -6.944 2.365 1.00 0.15 C ATOM 308 C MET A 76 -5.714 -6.273 3.134 1.00 0.16 C ATOM 309 O MET A 76 -4.835 -6.930 3.685 1.00 0.20 O ATOM 310 CB MET A 76 -6.626 -6.729 0.866 1.00 0.17 C ATOM 311 CG MET A 76 -5.490 -7.558 0.284 1.00 0.23 C ATOM 312 SD MET A 76 -5.749 -9.327 0.515 1.00 0.51 S ATOM 313 CE MET A 76 -4.322 -9.986 -0.341 1.00 1.35 C ATOM 0 H MET A 76 -8.637 -5.912 2.067 1.00 0.13 H new ATOM 0 HA MET A 76 -6.830 -8.016 2.564 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.549 -6.973 0.341 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.425 -5.673 0.683 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.394 -7.343 -0.780 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.551 -7.266 0.755 1.00 0.23 H new ATOM 0 HE1 MET A 76 -4.543 -10.993 -0.694 1.00 1.35 H new ATOM 0 HE2 MET A 76 -4.081 -9.348 -1.191 1.00 1.35 H new ATOM 0 HE3 MET A 76 -3.472 -10.019 0.340 1.00 1.35 H new ATOM 323 N ALA A 77 -5.789 -4.954 3.201 1.00 0.15 N ATOM 324 CA ALA A 77 -4.790 -4.161 3.906 1.00 0.19 C ATOM 325 C ALA A 77 -4.948 -4.280 5.419 1.00 0.26 C ATOM 326 O ALA A 77 -4.153 -3.737 6.188 1.00 0.47 O ATOM 327 CB ALA A 77 -4.880 -2.713 3.477 1.00 0.17 C ATOM 0 H ALA A 77 -6.535 -4.405 2.774 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.805 -4.550 3.646 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.130 -2.129 4.009 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.703 -2.640 2.404 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.872 -2.326 3.708 1.00 0.17 H new ATOM 333 N LYS A 78 -5.984 -4.982 5.843 1.00 0.17 N ATOM 334 CA LYS A 78 -6.214 -5.222 7.249 1.00 0.21 C ATOM 335 C LYS A 78 -5.932 -6.673 7.589 1.00 0.19 C ATOM 336 O LYS A 78 -6.040 -7.085 8.746 1.00 0.33 O ATOM 337 CB LYS A 78 -7.650 -4.890 7.595 1.00 0.32 C ATOM 338 CG LYS A 78 -8.020 -3.452 7.308 1.00 0.54 C ATOM 339 CD LYS A 78 -8.339 -2.677 8.574 1.00 0.46 C ATOM 340 CE LYS A 78 -9.271 -1.511 8.281 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.585 -0.720 9.499 1.00 1.30 N ATOM 0 H LYS A 78 -6.682 -5.397 5.225 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.543 -4.587 7.828 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.313 -5.547 7.032 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.818 -5.097 8.652 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -7.198 -2.965 6.784 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -8.882 -3.427 6.642 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.801 -3.341 9.304 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.416 -2.306 9.020 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.812 -0.860 7.536 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -10.197 -1.889 7.847 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.223 0.063 9.250 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -10.047 -1.333 10.201 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.706 -0.336 9.900 1.00 1.30 H new ATOM 355 N SER A 79 -5.594 -7.448 6.572 1.00 0.13 N ATOM 356 CA SER A 79 -5.304 -8.855 6.756 1.00 0.14 C ATOM 357 C SER A 79 -3.930 -9.011 7.387 1.00 0.15 C ATOM 358 O SER A 79 -3.077 -8.142 7.231 1.00 0.17 O ATOM 359 CB SER A 79 -5.374 -9.596 5.419 1.00 0.21 C ATOM 360 OG SER A 79 -5.140 -10.984 5.587 1.00 0.30 O ATOM 0 H SER A 79 -5.514 -7.123 5.609 1.00 0.13 H new ATOM 0 HA SER A 79 -6.050 -9.291 7.420 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.354 -9.442 4.966 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.637 -9.181 4.732 1.00 0.21 H new ATOM 0 HG SER A 79 -4.289 -11.226 5.166 1.00 0.30 H new ATOM 366 N GLN A 80 -3.717 -10.111 8.095 1.00 0.26 N ATOM 367 CA GLN A 80 -2.466 -10.333 8.813 1.00 0.33 C ATOM 368 C GLN A 80 -1.272 -10.321 7.859 1.00 0.27 C ATOM 369 O GLN A 80 -0.202 -9.803 8.192 1.00 0.32 O ATOM 370 CB GLN A 80 -2.518 -11.662 9.565 1.00 0.45 C ATOM 371 CG GLN A 80 -1.268 -11.954 10.382 1.00 1.51 C ATOM 372 CD GLN A 80 -1.332 -13.288 11.099 1.00 1.98 C ATOM 373 OE1 GLN A 80 -0.754 -13.453 12.171 1.00 2.65 O ATOM 374 NE2 GLN A 80 -2.031 -14.249 10.513 1.00 2.42 N ATOM 0 H GLN A 80 -4.395 -10.867 8.189 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.340 -9.520 9.528 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -3.382 -11.660 10.229 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -2.669 -12.469 8.848 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -0.399 -11.942 9.724 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -1.125 -11.160 11.115 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -2.496 -14.071 9.623 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -2.104 -15.167 10.952 1.00 2.42 H new ATOM 383 N SER A 81 -1.469 -10.878 6.672 1.00 0.24 N ATOM 384 CA SER A 81 -0.420 -10.939 5.668 1.00 0.22 C ATOM 385 C SER A 81 -0.017 -9.540 5.209 1.00 0.16 C ATOM 386 O SER A 81 1.159 -9.171 5.260 1.00 0.18 O ATOM 387 CB SER A 81 -0.897 -11.781 4.488 1.00 0.27 C ATOM 388 OG SER A 81 -2.234 -11.451 4.143 1.00 0.99 O ATOM 0 H SER A 81 -2.353 -11.296 6.381 1.00 0.24 H new ATOM 0 HA SER A 81 0.462 -11.405 6.107 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.244 -11.617 3.631 1.00 0.27 H new ATOM 0 HB3 SER A 81 -0.832 -12.839 4.740 1.00 0.27 H new ATOM 0 HG SER A 81 -2.521 -12.000 3.384 1.00 0.99 H new ATOM 394 N PHE A 82 -0.995 -8.742 4.799 1.00 0.12 N ATOM 395 CA PHE A 82 -0.702 -7.412 4.297 1.00 0.11 C ATOM 396 C PHE A 82 -0.427 -6.450 5.441 1.00 0.12 C ATOM 397 O PHE A 82 0.156 -5.399 5.241 1.00 0.14 O ATOM 398 CB PHE A 82 -1.813 -6.858 3.409 1.00 0.12 C ATOM 399 CG PHE A 82 -1.270 -6.020 2.289 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.407 -6.572 1.357 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.604 -4.685 2.175 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.113 -5.807 0.335 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.091 -3.915 1.156 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.229 -4.474 0.234 1.00 0.09 C ATOM 0 H PHE A 82 -1.984 -8.991 4.805 1.00 0.12 H new ATOM 0 HA PHE A 82 0.192 -7.507 3.680 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.393 -7.683 2.996 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.495 -6.259 4.012 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.138 -7.615 1.432 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.276 -4.240 2.894 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.786 -6.250 -0.384 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.363 -2.873 1.078 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.177 -3.870 -0.564 1.00 0.09 H new ATOM 414 N SER A 83 -0.879 -6.775 6.632 1.00 0.13 N ATOM 415 CA SER A 83 -0.549 -5.964 7.791 1.00 0.17 C ATOM 416 C SER A 83 0.967 -5.846 7.924 1.00 0.21 C ATOM 417 O SER A 83 1.499 -4.763 8.128 1.00 0.40 O ATOM 418 CB SER A 83 -1.156 -6.572 9.063 1.00 0.21 C ATOM 419 OG SER A 83 -0.944 -5.740 10.193 1.00 1.17 O ATOM 0 H SER A 83 -1.469 -7.584 6.826 1.00 0.13 H new ATOM 0 HA SER A 83 -0.970 -4.968 7.657 1.00 0.17 H new ATOM 0 HB2 SER A 83 -2.226 -6.725 8.919 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.715 -7.552 9.244 1.00 0.21 H new ATOM 0 HG SER A 83 -1.344 -6.156 10.985 1.00 1.17 H new ATOM 425 N THR A 84 1.655 -6.958 7.721 1.00 0.17 N ATOM 426 CA THR A 84 3.062 -7.057 8.004 1.00 0.22 C ATOM 427 C THR A 84 3.953 -6.798 6.781 1.00 0.16 C ATOM 428 O THR A 84 5.032 -6.219 6.915 1.00 0.21 O ATOM 429 CB THR A 84 3.330 -8.468 8.532 1.00 0.36 C ATOM 430 OG1 THR A 84 2.470 -8.747 9.644 1.00 0.80 O ATOM 431 CG2 THR A 84 4.769 -8.618 8.934 1.00 0.64 C ATOM 0 H THR A 84 1.244 -7.816 7.354 1.00 0.17 H new ATOM 0 HA THR A 84 3.312 -6.287 8.733 1.00 0.22 H new ATOM 0 HB THR A 84 3.121 -9.183 7.736 1.00 0.36 H new ATOM 0 HG1 THR A 84 1.609 -9.080 9.316 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.939 -9.628 9.307 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.409 -8.437 8.070 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.005 -7.898 9.717 1.00 0.64 H new ATOM 439 N ARG A 85 3.469 -7.182 5.599 1.00 0.15 N ATOM 440 CA ARG A 85 4.316 -7.346 4.406 1.00 0.16 C ATOM 441 C ARG A 85 5.344 -6.211 4.205 1.00 0.15 C ATOM 442 O ARG A 85 6.539 -6.473 4.096 1.00 0.15 O ATOM 443 CB ARG A 85 3.452 -7.562 3.142 1.00 0.19 C ATOM 444 CG ARG A 85 2.959 -6.292 2.463 1.00 0.17 C ATOM 445 CD ARG A 85 2.109 -5.488 3.395 1.00 0.14 C ATOM 446 NE ARG A 85 1.874 -4.117 2.942 1.00 0.14 N ATOM 447 CZ ARG A 85 1.815 -3.061 3.763 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.888 -3.233 5.082 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.656 -1.841 3.263 1.00 0.19 N ATOM 0 H ARG A 85 2.483 -7.389 5.437 1.00 0.15 H new ATOM 0 HA ARG A 85 4.911 -8.243 4.580 1.00 0.16 H new ATOM 0 HB2 ARG A 85 4.032 -8.138 2.421 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.587 -8.168 3.413 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.810 -5.696 2.134 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.387 -6.549 1.572 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.149 -5.989 3.521 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.585 -5.461 4.375 1.00 0.14 H new ATOM 0 HE ARG A 85 1.748 -3.956 1.943 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.989 -4.171 5.469 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.843 -2.426 5.705 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.579 -1.709 2.254 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.611 -1.036 3.887 1.00 0.19 H new ATOM 463 N ILE A 86 4.896 -4.961 4.172 1.00 0.13 N ATOM 464 CA ILE A 86 5.792 -3.854 3.877 1.00 0.13 C ATOM 465 C ILE A 86 6.388 -3.275 5.153 1.00 0.14 C ATOM 466 O ILE A 86 7.494 -2.735 5.146 1.00 0.16 O ATOM 467 CB ILE A 86 5.092 -2.729 3.082 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.535 -3.271 1.774 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.052 -1.591 2.803 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.456 -4.253 1.104 1.00 0.21 C ATOM 0 H ILE A 86 3.927 -4.692 4.344 1.00 0.13 H new ATOM 0 HA ILE A 86 6.590 -4.263 3.257 1.00 0.13 H new ATOM 0 HB ILE A 86 4.269 -2.349 3.687 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.577 -3.753 1.966 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.343 -2.440 1.095 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.538 -0.810 2.242 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.415 -1.182 3.746 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.895 -1.961 2.220 1.00 0.13 H new ATOM 0 HD11 ILE A 86 5.002 -4.603 0.177 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.406 -3.768 0.882 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.628 -5.101 1.767 1.00 0.21 H new ATOM 482 N GLU A 87 5.635 -3.375 6.243 1.00 0.16 N ATOM 483 CA GLU A 87 6.071 -2.887 7.542 1.00 0.20 C ATOM 484 C GLU A 87 7.448 -3.433 7.930 1.00 0.22 C ATOM 485 O GLU A 87 8.209 -2.767 8.632 1.00 0.28 O ATOM 486 CB GLU A 87 5.029 -3.250 8.601 1.00 0.27 C ATOM 487 CG GLU A 87 3.671 -2.619 8.340 1.00 0.40 C ATOM 488 CD GLU A 87 2.850 -2.445 9.595 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.771 -3.394 10.396 1.00 0.56 O ATOM 490 OE2 GLU A 87 2.270 -1.353 9.773 1.00 0.89 O ATOM 0 H GLU A 87 4.706 -3.797 6.249 1.00 0.16 H new ATOM 0 HA GLU A 87 6.166 -1.803 7.480 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.919 -4.334 8.638 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.389 -2.933 9.580 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.813 -1.647 7.868 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.118 -3.239 7.634 1.00 0.40 H new ATOM 497 N GLU A 88 7.782 -4.623 7.441 1.00 0.25 N ATOM 498 CA GLU A 88 9.070 -5.237 7.747 1.00 0.30 C ATOM 499 C GLU A 88 10.140 -4.788 6.763 1.00 0.32 C ATOM 500 O GLU A 88 11.318 -5.090 6.930 1.00 0.37 O ATOM 501 CB GLU A 88 8.962 -6.759 7.736 1.00 0.42 C ATOM 502 CG GLU A 88 8.030 -7.299 8.799 1.00 0.52 C ATOM 503 CD GLU A 88 8.219 -8.780 9.053 1.00 1.09 C ATOM 504 OE1 GLU A 88 8.187 -9.569 8.086 1.00 1.64 O ATOM 505 OE2 GLU A 88 8.392 -9.164 10.232 1.00 1.54 O ATOM 0 H GLU A 88 7.181 -5.180 6.833 1.00 0.25 H new ATOM 0 HA GLU A 88 9.359 -4.911 8.746 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.613 -7.085 6.756 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.954 -7.188 7.880 1.00 0.42 H new ATOM 0 HG2 GLU A 88 8.192 -6.753 9.728 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.999 -7.116 8.497 1.00 0.52 H new ATOM 512 N LEU A 89 9.719 -4.075 5.736 1.00 0.34 N ATOM 513 CA LEU A 89 10.624 -3.618 4.697 1.00 0.35 C ATOM 514 C LEU A 89 10.957 -2.141 4.845 1.00 0.34 C ATOM 515 O LEU A 89 11.931 -1.656 4.275 1.00 0.38 O ATOM 516 CB LEU A 89 10.017 -3.883 3.328 1.00 0.33 C ATOM 517 CG LEU A 89 10.841 -4.787 2.422 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.295 -4.356 2.398 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.718 -6.231 2.855 1.00 0.37 C ATOM 0 H LEU A 89 8.747 -3.797 5.598 1.00 0.34 H new ATOM 0 HA LEU A 89 11.555 -4.176 4.798 1.00 0.35 H new ATOM 0 HB2 LEU A 89 9.033 -4.331 3.464 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.866 -2.929 2.823 1.00 0.33 H new ATOM 0 HG LEU A 89 10.448 -4.697 1.409 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.860 -5.019 1.743 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.365 -3.333 2.027 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.706 -4.405 3.406 1.00 0.32 H new ATOM 0 HD21 LEU A 89 11.314 -6.861 2.195 1.00 0.37 H new ATOM 0 HD22 LEU A 89 11.077 -6.336 3.879 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.674 -6.538 2.804 1.00 0.37 H new ATOM 531 N GLY A 90 10.146 -1.427 5.599 1.00 0.31 N ATOM 532 CA GLY A 90 10.408 -0.022 5.816 1.00 0.31 C ATOM 533 C GLY A 90 9.153 0.816 5.725 1.00 0.26 C ATOM 534 O GLY A 90 9.052 1.874 6.348 1.00 0.29 O ATOM 0 H GLY A 90 9.314 -1.790 6.064 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.862 0.113 6.798 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.131 0.329 5.079 1.00 0.31 H new ATOM 538 N GLY A 91 8.188 0.332 4.956 1.00 0.22 N ATOM 539 CA GLY A 91 6.946 1.056 4.777 1.00 0.18 C ATOM 540 C GLY A 91 5.863 0.576 5.731 1.00 0.14 C ATOM 541 O GLY A 91 6.179 0.008 6.778 1.00 0.16 O ATOM 0 H GLY A 91 8.244 -0.553 4.451 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.121 2.120 4.934 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.602 0.937 3.749 1.00 0.18 H new ATOM 545 N SER A 92 4.586 0.769 5.363 1.00 0.12 N ATOM 546 CA SER A 92 3.467 0.386 6.226 1.00 0.12 C ATOM 547 C SER A 92 2.116 0.751 5.601 1.00 0.11 C ATOM 548 O SER A 92 2.049 1.181 4.447 1.00 0.12 O ATOM 549 CB SER A 92 3.617 1.024 7.610 1.00 0.16 C ATOM 550 OG SER A 92 3.898 2.414 7.509 1.00 0.21 O ATOM 0 H SER A 92 4.308 1.187 4.475 1.00 0.12 H new ATOM 0 HA SER A 92 3.490 -0.698 6.337 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.701 0.876 8.182 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.418 0.527 8.157 1.00 0.16 H new ATOM 0 HG SER A 92 3.987 2.796 8.407 1.00 0.21 H new ATOM 556 N ILE A 93 1.043 0.492 6.346 1.00 0.14 N ATOM 557 CA ILE A 93 -0.317 0.807 5.910 1.00 0.13 C ATOM 558 C ILE A 93 -0.858 2.047 6.630 1.00 0.14 C ATOM 559 O ILE A 93 -0.755 2.154 7.854 1.00 0.25 O ATOM 560 CB ILE A 93 -1.285 -0.357 6.219 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.959 -1.604 5.411 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.714 0.056 5.935 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.085 -2.870 6.216 1.00 0.24 C ATOM 0 H ILE A 93 1.091 0.058 7.268 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.262 0.984 4.836 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.167 -0.594 7.276 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.626 -1.658 4.550 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.057 -1.525 5.023 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.384 -0.775 6.158 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.976 0.911 6.558 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.812 0.329 4.884 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.841 -3.727 5.588 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.399 -2.833 7.062 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.107 -2.968 6.582 1.00 0.24 H new ATOM 575 N SER A 94 -1.440 2.969 5.877 1.00 0.09 N ATOM 576 CA SER A 94 -2.194 4.069 6.459 1.00 0.12 C ATOM 577 C SER A 94 -3.641 4.001 6.007 1.00 0.14 C ATOM 578 O SER A 94 -3.922 4.057 4.818 1.00 0.19 O ATOM 579 CB SER A 94 -1.608 5.419 6.048 1.00 0.15 C ATOM 580 OG SER A 94 -0.238 5.524 6.398 1.00 0.17 O ATOM 0 H SER A 94 -1.404 2.977 4.858 1.00 0.09 H new ATOM 0 HA SER A 94 -2.136 3.976 7.543 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.720 5.552 4.972 1.00 0.15 H new ATOM 0 HB3 SER A 94 -2.169 6.221 6.528 1.00 0.15 H new ATOM 0 HG SER A 94 0.296 5.667 5.589 1.00 0.17 H new ATOM 586 N PHE A 95 -4.556 3.870 6.946 1.00 0.15 N ATOM 587 CA PHE A 95 -5.963 3.882 6.605 1.00 0.16 C ATOM 588 C PHE A 95 -6.567 5.249 6.845 1.00 0.18 C ATOM 589 O PHE A 95 -6.784 5.667 7.984 1.00 0.26 O ATOM 590 CB PHE A 95 -6.744 2.833 7.381 1.00 0.18 C ATOM 591 CG PHE A 95 -6.961 1.562 6.622 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.955 0.624 6.524 1.00 0.39 C ATOM 593 CD2 PHE A 95 -8.178 1.308 6.006 1.00 0.39 C ATOM 594 CE1 PHE A 95 -6.155 -0.552 5.823 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.384 0.137 5.308 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.372 -0.794 5.216 1.00 0.52 C ATOM 0 H PHE A 95 -4.354 3.755 7.939 1.00 0.15 H new ATOM 0 HA PHE A 95 -6.032 3.642 5.544 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.213 2.608 8.306 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.712 3.248 7.662 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -5.003 0.809 6.999 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.973 2.036 6.074 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.360 -1.280 5.750 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.336 -0.050 4.834 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.530 -1.712 4.670 1.00 0.52 H new ATOM 606 N LEU A 96 -6.824 5.937 5.758 1.00 0.16 N ATOM 607 CA LEU A 96 -7.483 7.219 5.791 1.00 0.18 C ATOM 608 C LEU A 96 -8.970 6.967 5.572 1.00 0.21 C ATOM 609 O LEU A 96 -9.527 7.239 4.501 1.00 0.23 O ATOM 610 CB LEU A 96 -6.912 8.163 4.712 1.00 0.20 C ATOM 611 CG LEU A 96 -5.374 8.331 4.685 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.821 8.601 6.073 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.693 7.114 4.084 1.00 0.79 C ATOM 0 H LEU A 96 -6.580 5.620 4.820 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.318 7.710 6.750 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.233 7.799 3.736 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.360 9.147 4.848 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.160 9.194 4.054 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.738 8.714 6.018 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.261 9.516 6.468 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.066 7.767 6.731 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.614 7.266 4.080 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -4.934 6.232 4.678 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.042 6.969 3.062 1.00 0.79 H new ATOM 625 N THR A 97 -9.595 6.407 6.600 1.00 0.24 N ATOM 626 CA THR A 97 -10.951 5.890 6.522 1.00 0.29 C ATOM 627 C THR A 97 -11.984 6.998 6.345 1.00 0.34 C ATOM 628 O THR A 97 -13.137 6.728 6.006 1.00 0.41 O ATOM 629 CB THR A 97 -11.269 5.063 7.781 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.659 5.677 8.927 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.762 3.635 7.630 1.00 0.35 C ATOM 0 H THR A 97 -9.168 6.299 7.520 1.00 0.24 H new ATOM 0 HA THR A 97 -11.008 5.253 5.639 1.00 0.29 H new ATOM 0 HB THR A 97 -12.350 5.033 7.914 1.00 0.33 H new ATOM 0 HG1 THR A 97 -10.864 5.151 9.728 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.997 3.068 8.531 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.243 3.167 6.771 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.682 3.646 7.480 1.00 0.35 H new ATOM 639 N GLU A 98 -11.548 8.239 6.564 1.00 0.34 N ATOM 640 CA GLU A 98 -12.373 9.420 6.320 1.00 0.42 C ATOM 641 C GLU A 98 -13.031 9.361 4.946 1.00 0.38 C ATOM 642 O GLU A 98 -14.217 9.649 4.795 1.00 0.39 O ATOM 643 CB GLU A 98 -11.522 10.689 6.434 1.00 0.52 C ATOM 644 CG GLU A 98 -10.156 10.582 5.774 1.00 0.85 C ATOM 645 CD GLU A 98 -9.308 11.816 5.998 1.00 1.14 C ATOM 646 OE1 GLU A 98 -9.403 12.763 5.193 1.00 1.39 O ATOM 647 OE2 GLU A 98 -8.538 11.845 6.978 1.00 1.45 O ATOM 0 H GLU A 98 -10.614 8.452 6.915 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.160 9.441 7.074 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.066 11.520 5.985 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.386 10.929 7.489 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.634 9.709 6.166 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.284 10.422 4.703 1.00 0.85 H new ATOM 654 N THR A 99 -12.255 8.974 3.950 1.00 0.37 N ATOM 655 CA THR A 99 -12.749 8.877 2.594 1.00 0.37 C ATOM 656 C THR A 99 -12.790 7.420 2.140 1.00 0.34 C ATOM 657 O THR A 99 -13.607 7.036 1.299 1.00 0.55 O ATOM 658 CB THR A 99 -11.850 9.699 1.651 1.00 0.44 C ATOM 659 OG1 THR A 99 -11.802 11.059 2.096 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.353 9.644 0.216 1.00 0.49 C ATOM 0 H THR A 99 -11.273 8.721 4.059 1.00 0.37 H new ATOM 0 HA THR A 99 -13.763 9.276 2.562 1.00 0.37 H new ATOM 0 HB THR A 99 -10.849 9.267 1.674 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.228 11.580 1.496 1.00 0.50 H new ATOM 0 HG21 THR A 99 -11.696 10.234 -0.423 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.360 8.610 -0.128 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.364 10.049 0.169 1.00 0.49 H new ATOM 668 N GLY A 100 -11.924 6.604 2.726 1.00 0.19 N ATOM 669 CA GLY A 100 -11.789 5.229 2.289 1.00 0.18 C ATOM 670 C GLY A 100 -10.529 5.039 1.487 1.00 0.16 C ATOM 671 O GLY A 100 -10.539 4.378 0.457 1.00 0.21 O ATOM 0 H GLY A 100 -11.312 6.870 3.497 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.776 4.568 3.156 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.653 4.948 1.687 1.00 0.18 H new ATOM 675 N VAL A 101 -9.462 5.690 1.922 1.00 0.13 N ATOM 676 CA VAL A 101 -8.182 5.580 1.255 1.00 0.14 C ATOM 677 C VAL A 101 -7.189 4.827 2.130 1.00 0.12 C ATOM 678 O VAL A 101 -7.012 5.159 3.295 1.00 0.23 O ATOM 679 CB VAL A 101 -7.596 6.970 0.938 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.363 6.841 0.064 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.634 7.870 0.287 1.00 0.23 C ATOM 0 H VAL A 101 -9.461 6.302 2.738 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.348 5.038 0.324 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.301 7.435 1.879 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.963 7.832 -0.150 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.609 6.250 0.584 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.630 6.348 -0.871 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.191 8.843 0.076 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.976 7.417 -0.644 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.481 7.996 0.962 1.00 0.23 H new ATOM 691 N THR A 102 -6.557 3.817 1.577 1.00 0.10 N ATOM 692 CA THR A 102 -5.465 3.149 2.245 1.00 0.09 C ATOM 693 C THR A 102 -4.138 3.528 1.593 1.00 0.09 C ATOM 694 O THR A 102 -3.828 3.087 0.491 1.00 0.10 O ATOM 695 CB THR A 102 -5.628 1.624 2.207 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.888 1.258 2.770 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.515 0.953 2.993 1.00 0.12 C ATOM 0 H THR A 102 -6.784 3.438 0.658 1.00 0.10 H new ATOM 0 HA THR A 102 -5.473 3.471 3.286 1.00 0.09 H new ATOM 0 HB THR A 102 -5.580 1.296 1.169 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.743 0.694 3.558 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.645 -0.129 2.956 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.551 1.218 2.558 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.549 1.288 4.030 1.00 0.12 H new ATOM 705 N MET A 103 -3.358 4.357 2.262 1.00 0.10 N ATOM 706 CA MET A 103 -2.049 4.731 1.736 1.00 0.10 C ATOM 707 C MET A 103 -1.009 3.691 2.127 1.00 0.10 C ATOM 708 O MET A 103 -0.728 3.504 3.309 1.00 0.13 O ATOM 709 CB MET A 103 -1.596 6.105 2.230 1.00 0.12 C ATOM 710 CG MET A 103 -1.872 7.247 1.261 1.00 0.20 C ATOM 711 SD MET A 103 -3.601 7.709 1.194 1.00 1.26 S ATOM 712 CE MET A 103 -3.489 9.332 0.448 1.00 1.19 C ATOM 0 H MET A 103 -3.599 4.781 3.158 1.00 0.10 H new ATOM 0 HA MET A 103 -2.144 4.778 0.651 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.094 6.319 3.176 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.526 6.069 2.434 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.281 8.115 1.554 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.540 6.958 0.264 1.00 0.20 H new ATOM 0 HE1 MET A 103 -4.035 10.051 1.058 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.443 9.631 0.383 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.921 9.303 -0.552 1.00 1.19 H new ATOM 722 N ILE A 104 -0.453 2.994 1.149 1.00 0.08 N ATOM 723 CA ILE A 104 0.630 2.062 1.425 1.00 0.08 C ATOM 724 C ILE A 104 1.963 2.708 1.152 1.00 0.08 C ATOM 725 O ILE A 104 2.265 3.084 0.025 1.00 0.12 O ATOM 726 CB ILE A 104 0.539 0.744 0.622 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.540 -0.153 1.214 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.882 0.013 0.594 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.927 0.172 0.728 1.00 0.10 C ATOM 0 H ILE A 104 -0.729 3.054 0.169 1.00 0.08 H new ATOM 0 HA ILE A 104 0.533 1.805 2.480 1.00 0.08 H new ATOM 0 HB ILE A 104 0.275 0.992 -0.406 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.312 -1.191 0.970 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.516 -0.068 2.300 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.782 -0.909 0.021 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.633 0.650 0.128 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.189 -0.224 1.613 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.643 -0.507 1.191 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.175 1.199 0.996 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.969 0.059 -0.355 1.00 0.10 H new ATOM 741 N GLU A 105 2.747 2.848 2.193 1.00 0.09 N ATOM 742 CA GLU A 105 4.097 3.317 2.046 1.00 0.10 C ATOM 743 C GLU A 105 5.032 2.138 1.848 1.00 0.10 C ATOM 744 O GLU A 105 5.044 1.214 2.650 1.00 0.13 O ATOM 745 CB GLU A 105 4.501 4.141 3.262 1.00 0.13 C ATOM 746 CG GLU A 105 4.405 5.628 3.010 1.00 0.19 C ATOM 747 CD GLU A 105 3.801 6.388 4.172 1.00 0.35 C ATOM 748 OE1 GLU A 105 2.605 6.176 4.466 1.00 0.48 O ATOM 749 OE2 GLU A 105 4.512 7.208 4.784 1.00 0.45 O ATOM 0 H GLU A 105 2.469 2.642 3.153 1.00 0.09 H new ATOM 0 HA GLU A 105 4.164 3.959 1.167 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.862 3.876 4.105 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.523 3.889 3.545 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.401 6.021 2.804 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.803 5.801 2.118 1.00 0.19 H new ATOM 756 N LEU A 106 5.759 2.154 0.747 1.00 0.12 N ATOM 757 CA LEU A 106 6.752 1.139 0.444 1.00 0.12 C ATOM 758 C LEU A 106 7.929 1.776 -0.259 1.00 0.16 C ATOM 759 O LEU A 106 7.771 2.419 -1.293 1.00 0.19 O ATOM 760 CB LEU A 106 6.150 0.037 -0.434 1.00 0.12 C ATOM 761 CG LEU A 106 7.133 -1.041 -0.931 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.392 -2.314 -1.246 1.00 0.17 C ATOM 763 CD2 LEU A 106 7.873 -0.600 -2.184 1.00 0.16 C ATOM 0 H LEU A 106 5.677 2.877 0.032 1.00 0.12 H new ATOM 0 HA LEU A 106 7.088 0.687 1.378 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.356 -0.455 0.128 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.685 0.504 -1.302 1.00 0.12 H new ATOM 0 HG LEU A 106 7.856 -1.203 -0.132 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.097 -3.068 -1.596 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.891 -2.675 -0.348 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.651 -2.121 -2.022 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.555 -1.389 -2.500 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.155 -0.401 -2.979 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.440 0.306 -1.972 1.00 0.16 H new ATOM 775 N PRO A 107 9.124 1.603 0.284 1.00 0.17 N ATOM 776 CA PRO A 107 10.335 2.119 -0.326 1.00 0.21 C ATOM 777 C PRO A 107 10.683 1.302 -1.549 1.00 0.25 C ATOM 778 O PRO A 107 10.702 0.082 -1.494 1.00 0.20 O ATOM 779 CB PRO A 107 11.384 1.922 0.762 1.00 0.23 C ATOM 780 CG PRO A 107 10.902 0.743 1.515 1.00 0.21 C ATOM 781 CD PRO A 107 9.404 0.839 1.505 1.00 0.17 C ATOM 0 HA PRO A 107 10.250 3.155 -0.654 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.372 1.747 0.337 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.464 2.800 1.403 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.238 -0.183 1.049 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.288 0.745 2.534 1.00 0.21 H new ATOM 0 HD2 PRO A 107 8.938 -0.146 1.479 1.00 0.17 H new ATOM 0 HD3 PRO A 107 9.027 1.347 2.393 1.00 0.17 H new ATOM 789 N LYS A 108 10.972 1.949 -2.653 1.00 0.40 N ATOM 790 CA LYS A 108 11.352 1.219 -3.853 1.00 0.47 C ATOM 791 C LYS A 108 12.735 0.614 -3.680 1.00 0.50 C ATOM 792 O LYS A 108 13.325 0.065 -4.611 1.00 0.59 O ATOM 793 CB LYS A 108 11.259 2.130 -5.059 1.00 0.62 C ATOM 794 CG LYS A 108 9.819 2.491 -5.353 1.00 0.69 C ATOM 795 CD LYS A 108 9.678 3.671 -6.297 1.00 0.99 C ATOM 796 CE LYS A 108 10.235 4.950 -5.698 1.00 0.68 C ATOM 797 NZ LYS A 108 11.656 5.181 -6.067 1.00 1.10 N ATOM 0 H LYS A 108 10.954 2.964 -2.752 1.00 0.40 H new ATOM 0 HA LYS A 108 10.662 0.392 -4.020 1.00 0.47 H new ATOM 0 HB2 LYS A 108 11.836 3.037 -4.880 1.00 0.62 H new ATOM 0 HB3 LYS A 108 11.699 1.638 -5.926 1.00 0.62 H new ATOM 0 HG2 LYS A 108 9.316 1.626 -5.785 1.00 0.69 H new ATOM 0 HG3 LYS A 108 9.311 2.721 -4.417 1.00 0.69 H new ATOM 0 HD2 LYS A 108 10.197 3.452 -7.230 1.00 0.99 H new ATOM 0 HD3 LYS A 108 8.626 3.814 -6.543 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.634 5.796 -6.033 1.00 0.68 H new ATOM 0 HE3 LYS A 108 10.148 4.907 -4.612 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 12.217 5.338 -5.206 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 12.023 4.350 -6.573 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 11.724 6.017 -6.681 1.00 1.10 H new ATOM 811 N THR A 109 13.233 0.733 -2.462 1.00 0.47 N ATOM 812 CA THR A 109 14.448 0.079 -2.040 1.00 0.53 C ATOM 813 C THR A 109 14.161 -1.318 -1.464 1.00 0.46 C ATOM 814 O THR A 109 15.088 -2.079 -1.184 1.00 0.53 O ATOM 815 CB THR A 109 15.156 0.948 -1.000 1.00 0.62 C ATOM 816 OG1 THR A 109 14.210 1.346 -0.004 1.00 0.61 O ATOM 817 CG2 THR A 109 15.743 2.184 -1.659 1.00 0.72 C ATOM 0 H THR A 109 12.795 1.295 -1.732 1.00 0.47 H new ATOM 0 HA THR A 109 15.093 -0.050 -2.909 1.00 0.53 H new ATOM 0 HB THR A 109 15.963 0.375 -0.543 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.163 2.324 0.030 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.244 2.794 -0.907 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.462 1.883 -2.421 1.00 0.72 H new ATOM 0 HG23 THR A 109 14.944 2.763 -2.123 1.00 0.72 H new ATOM 825 N VAL A 110 12.870 -1.650 -1.283 1.00 0.34 N ATOM 826 CA VAL A 110 12.472 -3.015 -0.906 1.00 0.28 C ATOM 827 C VAL A 110 12.913 -4.001 -1.979 1.00 0.25 C ATOM 828 O VAL A 110 13.251 -3.602 -3.098 1.00 0.28 O ATOM 829 CB VAL A 110 10.951 -3.219 -0.723 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.348 -2.215 0.229 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.241 -3.196 -2.053 1.00 0.17 C ATOM 0 H VAL A 110 12.093 -0.998 -1.391 1.00 0.34 H new ATOM 0 HA VAL A 110 12.956 -3.184 0.056 1.00 0.28 H new ATOM 0 HB VAL A 110 10.813 -4.203 -0.275 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.278 -2.400 0.324 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.821 -2.311 1.206 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.509 -1.208 -0.155 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.172 -3.342 -1.897 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.409 -2.235 -2.539 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.628 -3.995 -2.686 1.00 0.17 H new ATOM 841 N SER A 111 12.917 -5.278 -1.641 1.00 0.24 N ATOM 842 CA SER A 111 13.131 -6.315 -2.634 1.00 0.22 C ATOM 843 C SER A 111 12.083 -6.157 -3.741 1.00 0.17 C ATOM 844 O SER A 111 10.936 -5.828 -3.455 1.00 0.18 O ATOM 845 CB SER A 111 12.986 -7.683 -1.970 1.00 0.27 C ATOM 846 OG SER A 111 13.087 -7.573 -0.558 1.00 0.96 O ATOM 0 H SER A 111 12.775 -5.621 -0.691 1.00 0.24 H new ATOM 0 HA SER A 111 14.130 -6.231 -3.062 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.024 -8.121 -2.237 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.758 -8.356 -2.343 1.00 0.27 H new ATOM 0 HG SER A 111 12.224 -7.794 -0.150 1.00 0.96 H new ATOM 852 N GLU A 112 12.467 -6.374 -4.994 1.00 0.21 N ATOM 853 CA GLU A 112 11.525 -6.277 -6.115 1.00 0.26 C ATOM 854 C GLU A 112 10.302 -7.150 -5.854 1.00 0.24 C ATOM 855 O GLU A 112 9.181 -6.797 -6.215 1.00 0.28 O ATOM 856 CB GLU A 112 12.211 -6.730 -7.404 1.00 0.35 C ATOM 857 CG GLU A 112 11.294 -6.803 -8.612 1.00 0.46 C ATOM 858 CD GLU A 112 11.799 -7.791 -9.640 1.00 0.63 C ATOM 859 OE1 GLU A 112 13.031 -7.880 -9.828 1.00 1.03 O ATOM 860 OE2 GLU A 112 10.968 -8.491 -10.257 1.00 0.80 O ATOM 0 H GLU A 112 13.420 -6.618 -5.264 1.00 0.21 H new ATOM 0 HA GLU A 112 11.205 -5.240 -6.217 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.029 -6.045 -7.625 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.654 -7.712 -7.239 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.293 -7.091 -8.292 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.212 -5.816 -9.066 1.00 0.46 H new ATOM 867 N HIS A 113 10.544 -8.283 -5.212 1.00 0.23 N ATOM 868 CA HIS A 113 9.487 -9.200 -4.800 1.00 0.27 C ATOM 869 C HIS A 113 8.479 -8.493 -3.906 1.00 0.25 C ATOM 870 O HIS A 113 7.273 -8.686 -4.033 1.00 0.41 O ATOM 871 CB HIS A 113 10.102 -10.365 -4.034 1.00 0.32 C ATOM 872 CG HIS A 113 10.951 -11.268 -4.869 1.00 0.40 C ATOM 873 ND1 HIS A 113 11.609 -12.369 -4.367 1.00 0.71 N ATOM 874 CD2 HIS A 113 11.258 -11.216 -6.179 1.00 0.46 C ATOM 875 CE1 HIS A 113 12.287 -12.950 -5.336 1.00 0.73 C ATOM 876 NE2 HIS A 113 12.090 -12.270 -6.447 1.00 0.55 N ATOM 0 H HIS A 113 11.482 -8.595 -4.960 1.00 0.23 H new ATOM 0 HA HIS A 113 8.974 -9.562 -5.691 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.706 -9.970 -3.217 1.00 0.32 H new ATOM 0 HB3 HIS A 113 9.302 -10.952 -3.583 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.912 -10.479 -6.888 1.00 0.46 H new ATOM 0 HE1 HIS A 113 12.900 -13.834 -5.236 1.00 0.73 H new ATOM 0 HE2 HIS A 113 12.492 -12.492 -7.358 1.00 0.55 H new ATOM 885 N ASP A 114 8.985 -7.666 -3.010 1.00 0.23 N ATOM 886 CA ASP A 114 8.148 -6.947 -2.067 1.00 0.26 C ATOM 887 C ASP A 114 7.573 -5.699 -2.702 1.00 0.25 C ATOM 888 O ASP A 114 6.508 -5.235 -2.324 1.00 0.33 O ATOM 889 CB ASP A 114 8.947 -6.575 -0.818 1.00 0.31 C ATOM 890 CG ASP A 114 9.323 -7.785 0.010 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.470 -8.284 0.776 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.480 -8.239 -0.086 1.00 2.05 O ATOM 0 H ASP A 114 9.982 -7.474 -2.915 1.00 0.23 H new ATOM 0 HA ASP A 114 7.325 -7.601 -1.779 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.853 -6.045 -1.114 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.361 -5.888 -0.207 1.00 0.31 H new ATOM 897 N MET A 115 8.273 -5.158 -3.674 1.00 0.23 N ATOM 898 CA MET A 115 7.801 -3.969 -4.350 1.00 0.23 C ATOM 899 C MET A 115 6.727 -4.323 -5.358 1.00 0.24 C ATOM 900 O MET A 115 5.563 -3.996 -5.174 1.00 0.47 O ATOM 901 CB MET A 115 8.956 -3.237 -5.038 1.00 0.20 C ATOM 902 CG MET A 115 8.514 -2.042 -5.867 1.00 0.22 C ATOM 903 SD MET A 115 9.893 -1.174 -6.647 1.00 0.22 S ATOM 904 CE MET A 115 10.581 -2.467 -7.680 1.00 1.62 C ATOM 0 H MET A 115 9.165 -5.519 -4.013 1.00 0.23 H new ATOM 0 HA MET A 115 7.372 -3.302 -3.602 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.664 -2.901 -4.281 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.487 -3.938 -5.682 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.821 -2.378 -6.638 1.00 0.22 H new ATOM 0 HG3 MET A 115 7.968 -1.346 -5.229 1.00 0.22 H new ATOM 0 HE1 MET A 115 11.114 -2.018 -8.518 1.00 1.62 H new ATOM 0 HE2 MET A 115 11.272 -3.072 -7.093 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.776 -3.098 -8.058 1.00 1.62 H new ATOM 914 N ASP A 116 7.113 -5.037 -6.391 1.00 0.15 N ATOM 915 CA ASP A 116 6.221 -5.289 -7.504 1.00 0.18 C ATOM 916 C ASP A 116 5.065 -6.180 -7.090 1.00 0.19 C ATOM 917 O ASP A 116 3.912 -5.874 -7.367 1.00 0.24 O ATOM 918 CB ASP A 116 6.982 -5.931 -8.653 1.00 0.23 C ATOM 919 CG ASP A 116 6.251 -5.791 -9.971 1.00 0.42 C ATOM 920 OD1 ASP A 116 6.434 -4.755 -10.645 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.495 -6.711 -10.341 1.00 0.64 O ATOM 0 H ASP A 116 8.039 -5.454 -6.485 1.00 0.15 H new ATOM 0 HA ASP A 116 5.815 -4.332 -7.831 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.967 -5.472 -8.735 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.139 -6.988 -8.437 1.00 0.23 H new ATOM 926 N GLN A 117 5.381 -7.265 -6.400 1.00 0.17 N ATOM 927 CA GLN A 117 4.377 -8.268 -6.066 1.00 0.18 C ATOM 928 C GLN A 117 3.493 -7.851 -4.890 1.00 0.15 C ATOM 929 O GLN A 117 2.306 -8.154 -4.885 1.00 0.17 O ATOM 930 CB GLN A 117 5.034 -9.620 -5.787 1.00 0.23 C ATOM 931 CG GLN A 117 5.798 -10.176 -6.978 1.00 0.96 C ATOM 932 CD GLN A 117 4.942 -10.279 -8.225 1.00 1.67 C ATOM 933 OE1 GLN A 117 3.730 -10.475 -8.150 1.00 2.42 O ATOM 934 NE2 GLN A 117 5.568 -10.142 -9.381 1.00 2.30 N ATOM 0 H GLN A 117 6.320 -7.475 -6.061 1.00 0.17 H new ATOM 0 HA GLN A 117 3.727 -8.360 -6.936 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.716 -9.517 -4.943 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.266 -10.335 -5.491 1.00 0.23 H new ATOM 0 HG2 GLN A 117 6.657 -9.538 -7.184 1.00 0.96 H new ATOM 0 HG3 GLN A 117 6.187 -11.163 -6.727 1.00 0.96 H new ATOM 0 HE21 GLN A 117 6.575 -9.981 -9.400 1.00 2.30 H new ATOM 0 HE22 GLN A 117 5.044 -10.198 -10.254 1.00 2.30 H new ATOM 943 N LEU A 118 4.040 -7.148 -3.901 1.00 0.14 N ATOM 944 CA LEU A 118 3.222 -6.737 -2.759 1.00 0.13 C ATOM 945 C LEU A 118 2.361 -5.531 -3.099 1.00 0.12 C ATOM 946 O LEU A 118 1.233 -5.420 -2.630 1.00 0.13 O ATOM 947 CB LEU A 118 4.059 -6.460 -1.516 1.00 0.12 C ATOM 948 CG LEU A 118 4.541 -7.712 -0.776 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.487 -7.339 0.348 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.361 -8.500 -0.216 1.00 0.16 C ATOM 0 H LEU A 118 5.017 -6.857 -3.864 1.00 0.14 H new ATOM 0 HA LEU A 118 2.566 -7.577 -2.531 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.928 -5.868 -1.804 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.472 -5.851 -0.828 1.00 0.12 H new ATOM 0 HG LEU A 118 5.072 -8.338 -1.493 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.817 -8.243 0.860 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.352 -6.818 -0.062 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.973 -6.688 1.055 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.728 -9.384 0.305 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.803 -7.874 0.481 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.707 -8.806 -1.033 1.00 0.16 H new ATOM 962 N LEU A 119 2.882 -4.627 -3.916 1.00 0.13 N ATOM 963 CA LEU A 119 2.063 -3.524 -4.417 1.00 0.13 C ATOM 964 C LEU A 119 1.067 -4.042 -5.442 1.00 0.13 C ATOM 965 O LEU A 119 0.089 -3.382 -5.782 1.00 0.14 O ATOM 966 CB LEU A 119 2.924 -2.424 -5.019 1.00 0.14 C ATOM 967 CG LEU A 119 3.994 -1.885 -4.077 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.619 -0.631 -4.650 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.420 -1.638 -2.686 1.00 0.17 C ATOM 0 H LEU A 119 3.848 -4.630 -4.243 1.00 0.13 H new ATOM 0 HA LEU A 119 1.519 -3.094 -3.576 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.406 -2.806 -5.919 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.279 -1.601 -5.328 1.00 0.14 H new ATOM 0 HG LEU A 119 4.778 -2.635 -3.978 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.381 -0.259 -3.965 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.077 -0.860 -5.613 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.850 0.130 -4.785 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.203 -1.254 -2.032 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.611 -0.910 -2.750 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.035 -2.573 -2.280 1.00 0.17 H new ATOM 981 N HIS A 120 1.330 -5.238 -5.927 1.00 0.13 N ATOM 982 CA HIS A 120 0.420 -5.924 -6.822 1.00 0.13 C ATOM 983 C HIS A 120 -0.577 -6.730 -6.006 1.00 0.13 C ATOM 984 O HIS A 120 -1.665 -7.041 -6.475 1.00 0.14 O ATOM 985 CB HIS A 120 1.215 -6.845 -7.728 1.00 0.14 C ATOM 986 CG HIS A 120 0.472 -7.386 -8.914 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.763 -7.021 -10.209 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.530 -8.294 -8.998 1.00 0.25 C ATOM 989 CE1 HIS A 120 -0.026 -7.679 -11.038 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.820 -8.458 -10.329 1.00 0.34 N ATOM 0 H HIS A 120 2.179 -5.761 -5.713 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.121 -5.199 -7.430 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.092 -6.305 -8.086 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.578 -7.685 -7.135 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.011 -8.795 -8.171 1.00 0.25 H new ATOM 0 HE1 HIS A 120 -0.022 -7.594 -12.115 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.533 -9.081 -10.708 1.00 0.34 H new ATOM 999 N ASP A 121 -0.189 -7.064 -4.777 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.087 -7.731 -3.839 1.00 0.12 C ATOM 1001 C ASP A 121 -2.203 -6.761 -3.527 1.00 0.11 C ATOM 1002 O ASP A 121 -3.327 -7.135 -3.196 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.348 -8.110 -2.553 1.00 0.14 C ATOM 1004 CG ASP A 121 -0.864 -9.386 -1.915 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -0.863 -10.437 -2.594 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -1.225 -9.357 -0.722 1.00 0.42 O ATOM 0 H ASP A 121 0.744 -6.883 -4.407 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.475 -8.651 -4.276 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.713 -8.226 -2.773 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.437 -7.293 -1.837 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.851 -5.493 -3.667 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.797 -4.410 -3.610 1.00 0.10 C ATOM 1013 C ILE A 122 -3.825 -4.558 -4.721 1.00 0.10 C ATOM 1014 O ILE A 122 -5.030 -4.575 -4.477 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.069 -3.057 -3.742 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.033 -2.939 -2.630 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.056 -1.905 -3.705 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.358 -1.590 -2.541 1.00 0.10 C ATOM 0 H ILE A 122 -0.889 -5.192 -3.825 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.307 -4.441 -2.647 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.561 -3.010 -4.705 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.516 -3.153 -1.677 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.270 -3.703 -2.779 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.518 -0.962 -3.800 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.762 -2.004 -4.529 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.598 -1.920 -2.759 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.363 -1.597 -1.723 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.158 -1.379 -3.478 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.107 -0.820 -2.358 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.327 -4.702 -5.939 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.173 -4.876 -7.110 1.00 0.12 C ATOM 1032 C LEU A 123 -4.906 -6.213 -7.064 1.00 0.13 C ATOM 1033 O LEU A 123 -5.978 -6.363 -7.644 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.329 -4.793 -8.385 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.090 -3.388 -8.947 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.346 -2.517 -7.950 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.320 -3.473 -10.254 1.00 0.20 C ATOM 0 H LEU A 123 -2.328 -4.702 -6.144 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.914 -4.077 -7.113 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.361 -5.252 -8.185 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.813 -5.393 -9.156 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.060 -2.927 -9.135 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.191 -1.526 -8.377 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -2.932 -2.430 -7.035 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.381 -2.969 -7.722 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.155 -2.469 -10.645 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.359 -3.957 -10.079 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.893 -4.054 -10.977 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.316 -7.175 -6.367 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.933 -8.480 -6.158 1.00 0.16 C ATOM 1051 C ALA A 124 -6.209 -8.338 -5.340 1.00 0.17 C ATOM 1052 O ALA A 124 -7.064 -9.223 -5.320 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.954 -9.411 -5.460 1.00 0.17 C ATOM 0 H ALA A 124 -3.399 -7.074 -5.931 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.193 -8.907 -7.127 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.422 -10.383 -5.308 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.063 -9.530 -6.076 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.674 -8.988 -4.495 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.325 -7.202 -4.678 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.480 -6.890 -3.866 1.00 0.14 C ATOM 1061 C ALA A 125 -8.346 -5.861 -4.567 1.00 0.14 C ATOM 1062 O ALA A 125 -9.314 -5.354 -4.007 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.022 -6.364 -2.524 1.00 0.15 C ATOM 0 H ALA A 125 -5.616 -6.469 -4.690 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.071 -7.793 -3.714 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.891 -6.128 -1.910 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.419 -7.121 -2.023 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.426 -5.463 -2.670 1.00 0.15 H new ATOM 1069 N GLY A 126 -7.972 -5.538 -5.797 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.667 -4.510 -6.535 1.00 0.16 C ATOM 1071 C GLY A 126 -8.130 -3.139 -6.201 1.00 0.15 C ATOM 1072 O GLY A 126 -8.455 -2.153 -6.862 1.00 0.21 O ATOM 0 H GLY A 126 -7.196 -5.973 -6.296 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.563 -4.693 -7.604 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.732 -4.552 -6.306 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.288 -3.095 -5.178 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.721 -1.854 -4.709 1.00 0.16 C ATOM 1078 C GLY A 127 -5.917 -1.146 -5.775 1.00 0.19 C ATOM 1079 O GLY A 127 -5.108 -1.760 -6.471 1.00 0.35 O ATOM 0 H GLY A 127 -6.985 -3.918 -4.657 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.522 -1.199 -4.367 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.082 -2.052 -3.848 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.160 0.140 -5.918 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.454 0.951 -6.890 1.00 0.22 C ATOM 1085 C VAL A 128 -4.327 1.705 -6.207 1.00 0.18 C ATOM 1086 O VAL A 128 -4.411 1.991 -5.023 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.411 1.940 -7.573 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.441 1.186 -8.402 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.092 2.828 -6.544 1.00 0.64 C ATOM 0 H VAL A 128 -6.849 0.652 -5.367 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.038 0.294 -7.654 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.832 2.580 -8.238 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.114 1.897 -8.881 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -6.933 0.596 -9.165 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.015 0.524 -7.754 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -7.765 3.521 -7.050 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.662 2.210 -5.850 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.338 3.391 -5.994 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.273 2.016 -6.940 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.099 2.634 -6.338 1.00 0.20 C ATOM 1101 C VAL A 129 -1.818 4.011 -6.942 1.00 0.23 C ATOM 1102 O VAL A 129 -2.187 4.280 -8.087 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.854 1.735 -6.503 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.073 0.396 -5.812 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.520 1.528 -7.974 1.00 0.31 C ATOM 0 H VAL A 129 -3.203 1.854 -7.945 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.313 2.757 -5.276 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.008 2.237 -6.033 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.187 -0.227 -5.937 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.255 0.560 -4.750 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.934 -0.105 -6.254 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.361 0.891 -8.061 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.363 1.052 -8.475 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.318 2.492 -8.440 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.185 4.886 -6.166 1.00 0.35 N ATOM 1116 CA GLY A 130 -0.820 6.200 -6.670 1.00 0.36 C ATOM 1117 C GLY A 130 0.562 6.635 -6.208 1.00 0.44 C ATOM 1118 O GLY A 130 1.269 5.873 -5.553 1.00 0.85 O ATOM 0 H GLY A 130 -0.918 4.710 -5.198 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -0.849 6.189 -7.760 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -1.558 6.931 -6.339 1.00 0.36 H new ATOM 1122 N LEU A 131 0.951 7.855 -6.559 1.00 0.32 N ATOM 1123 CA LEU A 131 2.243 8.403 -6.149 1.00 0.33 C ATOM 1124 C LEU A 131 2.039 9.544 -5.162 1.00 0.32 C ATOM 1125 O LEU A 131 1.913 10.708 -5.547 1.00 0.45 O ATOM 1126 CB LEU A 131 3.061 8.888 -7.355 1.00 0.37 C ATOM 1127 CG LEU A 131 3.612 7.793 -8.281 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.291 6.694 -7.477 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.515 7.215 -9.163 1.00 1.17 C ATOM 0 H LEU A 131 0.389 8.488 -7.129 1.00 0.32 H new ATOM 0 HA LEU A 131 2.805 7.604 -5.666 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.436 9.556 -7.947 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.899 9.479 -6.986 1.00 0.37 H new ATOM 0 HG LEU A 131 4.358 8.251 -8.930 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.673 5.930 -8.155 1.00 0.97 H new ATOM 0 HD12 LEU A 131 5.117 7.118 -6.906 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.570 6.245 -6.794 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.935 6.443 -9.807 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.736 6.781 -8.537 1.00 1.17 H new ATOM 0 HD23 LEU A 131 2.087 8.007 -9.778 1.00 1.17 H new ATOM 1141 N ASP A 132 1.991 9.192 -3.890 1.00 0.24 N ATOM 1142 CA ASP A 132 1.717 10.143 -2.819 1.00 0.23 C ATOM 1143 C ASP A 132 2.989 10.601 -2.149 1.00 0.39 C ATOM 1144 O ASP A 132 3.051 11.698 -1.597 1.00 0.90 O ATOM 1145 CB ASP A 132 0.792 9.506 -1.790 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.599 9.314 -2.340 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.784 8.433 -3.200 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.519 10.030 -1.892 1.00 0.98 O ATOM 0 H ASP A 132 2.141 8.237 -3.566 1.00 0.24 H new ATOM 0 HA ASP A 132 1.234 11.016 -3.258 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.198 8.543 -1.481 1.00 0.25 H new ATOM 0 HB3 ASP A 132 0.749 10.134 -0.900 1.00 0.25 H new ATOM 1153 N SER A 133 4.004 9.762 -2.184 1.00 0.55 N ATOM 1154 CA SER A 133 5.252 10.084 -1.528 1.00 0.69 C ATOM 1155 C SER A 133 6.404 9.331 -2.147 1.00 0.56 C ATOM 1156 O SER A 133 6.410 8.114 -2.143 1.00 0.87 O ATOM 1157 CB SER A 133 5.178 9.718 -0.047 1.00 0.95 C ATOM 1158 OG SER A 133 4.073 10.334 0.587 1.00 1.30 O ATOM 0 H SER A 133 3.989 8.858 -2.657 1.00 0.55 H new ATOM 0 HA SER A 133 5.417 11.155 -1.646 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.101 8.636 0.058 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.099 10.022 0.450 1.00 0.95 H new ATOM 0 HG SER A 133 4.142 10.211 1.557 1.00 1.30 H new ATOM 1164 N GLU A 134 7.369 10.046 -2.681 1.00 0.53 N ATOM 1165 CA GLU A 134 8.619 9.427 -3.068 1.00 0.56 C ATOM 1166 C GLU A 134 9.497 9.311 -1.826 1.00 0.58 C ATOM 1167 O GLU A 134 9.897 10.328 -1.266 1.00 1.01 O ATOM 1168 CB GLU A 134 9.290 10.249 -4.169 1.00 0.88 C ATOM 1169 CG GLU A 134 10.670 9.750 -4.570 1.00 0.95 C ATOM 1170 CD GLU A 134 10.673 8.293 -4.979 1.00 1.45 C ATOM 1171 OE1 GLU A 134 10.288 7.995 -6.129 1.00 1.80 O ATOM 1172 OE2 GLU A 134 11.049 7.439 -4.155 1.00 1.85 O ATOM 0 H GLU A 134 7.314 11.049 -2.857 1.00 0.53 H new ATOM 0 HA GLU A 134 8.450 8.430 -3.474 1.00 0.56 H new ATOM 0 HB2 GLU A 134 8.647 10.249 -5.049 1.00 0.88 H new ATOM 0 HB3 GLU A 134 9.373 11.283 -3.835 1.00 0.88 H new ATOM 0 HG2 GLU A 134 11.044 10.355 -5.396 1.00 0.95 H new ATOM 0 HG3 GLU A 134 11.358 9.890 -3.736 1.00 0.95 H new ATOM 1179 N VAL A 135 9.782 8.059 -1.425 1.00 0.43 N ATOM 1180 CA VAL A 135 10.409 7.719 -0.131 1.00 0.38 C ATOM 1181 C VAL A 135 10.107 8.732 0.993 1.00 0.42 C ATOM 1182 O VAL A 135 10.746 9.777 1.103 1.00 0.52 O ATOM 1183 CB VAL A 135 11.933 7.499 -0.245 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.218 6.136 -0.856 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.602 8.599 -1.058 1.00 0.62 C ATOM 0 H VAL A 135 9.581 7.240 -1.999 1.00 0.43 H new ATOM 0 HA VAL A 135 9.943 6.774 0.150 1.00 0.38 H new ATOM 0 HB VAL A 135 12.353 7.536 0.760 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.295 5.990 -0.933 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.790 5.357 -0.224 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.773 6.082 -1.850 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.674 8.409 -1.115 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.182 8.615 -2.064 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.430 9.562 -0.578 1.00 0.62 H new ATOM 1195 N LYS A 136 9.148 8.353 1.846 1.00 0.40 N ATOM 1196 CA LYS A 136 8.656 9.152 2.983 1.00 0.50 C ATOM 1197 C LYS A 136 8.478 10.632 2.651 1.00 0.54 C ATOM 1198 O LYS A 136 9.382 11.447 2.841 1.00 0.52 O ATOM 1199 CB LYS A 136 9.480 8.990 4.283 1.00 0.60 C ATOM 1200 CG LYS A 136 10.695 8.066 4.228 1.00 0.59 C ATOM 1201 CD LYS A 136 11.898 8.708 3.553 1.00 1.23 C ATOM 1202 CE LYS A 136 12.282 10.039 4.191 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.459 10.662 3.530 1.00 1.86 N ATOM 0 H LYS A 136 8.675 7.453 1.764 1.00 0.40 H new ATOM 0 HA LYS A 136 7.671 8.728 3.178 1.00 0.50 H new ATOM 0 HB2 LYS A 136 9.821 9.978 4.593 1.00 0.60 H new ATOM 0 HB3 LYS A 136 8.812 8.624 5.063 1.00 0.60 H new ATOM 0 HG2 LYS A 136 10.968 7.772 5.242 1.00 0.59 H new ATOM 0 HG3 LYS A 136 10.428 7.155 3.693 1.00 0.59 H new ATOM 0 HD2 LYS A 136 12.747 8.026 3.604 1.00 1.23 H new ATOM 0 HD3 LYS A 136 11.678 8.865 2.497 1.00 1.23 H new ATOM 0 HE2 LYS A 136 11.435 10.723 4.139 1.00 1.54 H new ATOM 0 HE3 LYS A 136 12.501 9.883 5.247 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.683 11.564 3.997 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 14.276 10.023 3.602 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 13.243 10.836 2.528 1.00 1.86 H new