USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 Single : A 92 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.396) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.436 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.0265 K(o=0.027,f=-1.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 142:sc= -0.0144 (180deg=-2.15) USER MOD Single : A 122 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : A 124 THR OG1 : rot -50:sc= 0.117 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 105:sc= 0.732 USER MOD Single : A 137 MET CE :methyl -151:sc= -2.4 (180deg=-3.8) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -141:sc= -0.235 (180deg=-1.63!) USER MOD Single : A 143 ASN : amide:sc= -1.17 K(o=-1.2,f=-1.7) USER MOD Single : A 144 ASN : amide:sc= -0.309 K(o=-0.31,f=-3!) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0296 USER MOD Single : A 157 MET CE :methyl 173:sc= 0 (180deg=-0.00532) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.769 5.758 0.762 1.00 1.27 N ATOM 28 CA LYS A 92 7.293 4.376 0.468 1.00 1.47 C ATOM 29 C LYS A 92 5.772 4.304 0.616 1.00 1.40 C ATOM 30 O LYS A 92 5.041 4.365 -0.352 1.00 1.56 O ATOM 31 CB LYS A 92 7.979 3.493 1.511 1.00 1.61 C ATOM 32 CG LYS A 92 9.479 3.430 1.218 1.00 1.94 C ATOM 33 CD LYS A 92 9.949 1.976 1.262 1.00 2.31 C ATOM 34 CE LYS A 92 10.363 1.528 -0.142 1.00 2.59 C ATOM 35 NZ LYS A 92 9.097 1.492 -0.926 1.00 3.20 N ATOM 0 HA LYS A 92 7.529 4.061 -0.549 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.809 3.893 2.510 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.551 2.491 1.492 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.687 3.861 0.238 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.028 4.023 1.950 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.789 1.875 1.949 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.151 1.336 1.638 1.00 2.31 H new ATOM 0 HE2 LYS A 92 11.080 2.221 -0.582 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.840 0.548 -0.119 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.235 0.918 -1.782 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.342 1.074 -0.346 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.829 2.460 -1.198 1.00 3.20 H new ATOM 49 N SER A 93 5.290 4.177 1.821 1.00 1.38 N ATOM 50 CA SER A 93 3.817 4.106 2.032 1.00 1.40 C ATOM 51 C SER A 93 3.357 5.267 2.916 1.00 1.20 C ATOM 52 O SER A 93 4.159 6.012 3.444 1.00 1.08 O ATOM 53 CB SER A 93 3.582 2.770 2.737 1.00 1.60 C ATOM 54 OG SER A 93 3.622 1.721 1.779 1.00 2.20 O ATOM 0 H SER A 93 5.853 4.119 2.670 1.00 1.38 H new ATOM 0 HA SER A 93 3.260 4.176 1.097 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.343 2.610 3.501 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.617 2.778 3.245 1.00 1.60 H new ATOM 0 HG SER A 93 3.473 0.862 2.228 1.00 2.20 H new ATOM 60 N GLU A 94 2.073 5.429 3.083 1.00 1.26 N ATOM 61 CA GLU A 94 1.571 6.544 3.935 1.00 1.17 C ATOM 62 C GLU A 94 2.398 6.639 5.220 1.00 1.12 C ATOM 63 O GLU A 94 2.505 7.687 5.825 1.00 1.09 O ATOM 64 CB GLU A 94 0.123 6.179 4.257 1.00 1.33 C ATOM 65 CG GLU A 94 -0.696 6.152 2.965 1.00 1.28 C ATOM 66 CD GLU A 94 -1.664 4.968 3.000 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.194 3.847 3.110 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.858 5.202 2.915 1.00 2.09 O ATOM 0 H GLU A 94 1.352 4.839 2.668 1.00 1.26 H new ATOM 0 HA GLU A 94 1.645 7.510 3.435 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.082 5.206 4.746 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.300 6.904 4.953 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.249 7.085 2.853 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.034 6.069 2.103 1.00 1.28 H new ATOM 75 N GLU A 95 2.986 5.552 5.640 1.00 1.19 N ATOM 76 CA GLU A 95 3.808 5.582 6.884 1.00 1.23 C ATOM 77 C GLU A 95 4.938 6.604 6.742 1.00 1.03 C ATOM 78 O GLU A 95 5.007 7.574 7.471 1.00 1.01 O ATOM 79 CB GLU A 95 4.377 4.169 7.017 1.00 1.45 C ATOM 80 CG GLU A 95 3.355 3.269 7.716 1.00 1.90 C ATOM 81 CD GLU A 95 3.885 2.870 9.094 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.672 3.622 9.644 1.00 2.66 O ATOM 83 OE2 GLU A 95 3.494 1.819 9.575 1.00 2.49 O ATOM 0 H GLU A 95 2.933 4.645 5.176 1.00 1.19 H new ATOM 0 HA GLU A 95 3.225 5.870 7.759 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.617 3.768 6.032 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.306 4.192 7.586 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.404 3.792 7.818 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.167 2.379 7.115 1.00 1.90 H new ATOM 90 N GLU A 96 5.823 6.395 5.806 1.00 1.02 N ATOM 91 CA GLU A 96 6.948 7.355 5.614 1.00 0.94 C ATOM 92 C GLU A 96 6.470 8.570 4.814 1.00 0.79 C ATOM 93 O GLU A 96 6.907 9.682 5.035 1.00 0.82 O ATOM 94 CB GLU A 96 8.004 6.577 4.828 1.00 1.15 C ATOM 95 CG GLU A 96 8.637 5.518 5.732 1.00 1.62 C ATOM 96 CD GLU A 96 8.977 4.278 4.903 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.076 3.496 4.647 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.132 4.132 4.537 1.00 2.78 O ATOM 0 H GLU A 96 5.816 5.601 5.166 1.00 1.02 H new ATOM 0 HA GLU A 96 7.340 7.729 6.560 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.549 6.103 3.958 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.770 7.257 4.456 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.538 5.915 6.199 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.951 5.254 6.537 1.00 1.62 H new ATOM 105 N LEU A 97 5.575 8.366 3.886 1.00 0.77 N ATOM 106 CA LEU A 97 5.069 9.510 3.074 1.00 0.71 C ATOM 107 C LEU A 97 4.464 10.577 3.990 1.00 0.67 C ATOM 108 O LEU A 97 4.338 11.728 3.620 1.00 0.75 O ATOM 109 CB LEU A 97 3.995 8.909 2.165 1.00 0.80 C ATOM 110 CG LEU A 97 4.641 7.935 1.177 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.640 7.589 0.073 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.878 8.584 0.553 1.00 1.22 C ATOM 0 H LEU A 97 5.172 7.458 3.655 1.00 0.77 H new ATOM 0 HA LEU A 97 5.860 9.993 2.501 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.246 8.391 2.764 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.478 9.701 1.624 1.00 0.80 H new ATOM 0 HG LEU A 97 4.933 7.026 1.704 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.100 6.895 -0.631 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.757 7.126 0.514 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.349 8.499 -0.452 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.337 7.890 -0.150 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.586 9.493 0.027 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.593 8.832 1.337 1.00 1.22 H new ATOM 124 N SER A 98 4.088 10.204 5.184 1.00 0.69 N ATOM 125 CA SER A 98 3.492 11.198 6.123 1.00 0.76 C ATOM 126 C SER A 98 4.508 12.299 6.440 1.00 0.72 C ATOM 127 O SER A 98 4.270 13.466 6.196 1.00 0.77 O ATOM 128 CB SER A 98 3.150 10.397 7.381 1.00 0.92 C ATOM 129 OG SER A 98 3.788 10.986 8.508 1.00 1.57 O ATOM 0 H SER A 98 4.168 9.255 5.549 1.00 0.69 H new ATOM 0 HA SER A 98 2.614 11.690 5.705 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.070 10.378 7.530 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.474 9.363 7.266 1.00 0.92 H new ATOM 0 HG SER A 98 3.567 10.474 9.314 1.00 1.57 H new ATOM 135 N ASP A 99 5.640 11.939 6.981 1.00 0.80 N ATOM 136 CA ASP A 99 6.669 12.967 7.310 1.00 0.86 C ATOM 137 C ASP A 99 7.271 13.541 6.025 1.00 0.81 C ATOM 138 O ASP A 99 7.699 14.677 5.981 1.00 0.91 O ATOM 139 CB ASP A 99 7.732 12.218 8.114 1.00 1.02 C ATOM 140 CG ASP A 99 8.552 13.218 8.932 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.960 14.139 9.470 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.758 13.046 9.005 1.00 1.79 O ATOM 0 H ASP A 99 5.897 10.979 7.209 1.00 0.80 H new ATOM 0 HA ASP A 99 6.253 13.806 7.867 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.259 11.492 8.775 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.384 11.659 7.443 1.00 1.02 H new ATOM 147 N LEU A 100 7.306 12.764 4.977 1.00 0.75 N ATOM 148 CA LEU A 100 7.879 13.266 3.696 1.00 0.76 C ATOM 149 C LEU A 100 7.247 14.612 3.328 1.00 0.68 C ATOM 150 O LEU A 100 7.919 15.620 3.236 1.00 0.79 O ATOM 151 CB LEU A 100 7.520 12.203 2.658 1.00 0.86 C ATOM 152 CG LEU A 100 8.796 11.529 2.153 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.159 10.366 3.077 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.564 11.001 0.735 1.00 1.41 C ATOM 0 H LEU A 100 6.963 11.804 4.952 1.00 0.75 H new ATOM 0 HA LEU A 100 8.955 13.426 3.758 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.854 11.461 3.098 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.984 12.659 1.826 1.00 0.86 H new ATOM 0 HG LEU A 100 9.611 12.253 2.144 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.069 9.885 2.717 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.322 10.741 4.087 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.345 9.641 3.086 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.473 10.520 0.373 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.749 10.277 0.745 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.305 11.830 0.076 1.00 1.41 H new ATOM 166 N PHE A 101 5.959 14.635 3.120 1.00 0.60 N ATOM 167 CA PHE A 101 5.283 15.915 2.761 1.00 0.59 C ATOM 168 C PHE A 101 5.685 17.019 3.743 1.00 0.60 C ATOM 169 O PHE A 101 5.917 18.149 3.361 1.00 0.72 O ATOM 170 CB PHE A 101 3.788 15.614 2.873 1.00 0.61 C ATOM 171 CG PHE A 101 3.004 16.667 2.127 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.854 17.948 2.673 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.425 16.361 0.890 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.126 18.923 1.980 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.697 17.335 0.197 1.00 0.73 C ATOM 176 CZ PHE A 101 1.548 18.616 0.742 1.00 0.69 C ATOM 0 H PHE A 101 5.345 13.823 3.183 1.00 0.60 H new ATOM 0 HA PHE A 101 5.556 16.263 1.765 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.573 14.627 2.463 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.487 15.596 3.921 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.300 18.184 3.628 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.540 15.373 0.470 1.00 0.68 H new ATOM 0 HE1 PHE A 101 2.010 19.911 2.400 1.00 0.90 H new ATOM 0 HE2 PHE A 101 1.250 17.099 -0.758 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.987 19.368 0.207 1.00 0.69 H new ATOM 186 N ARG A 102 5.769 16.701 5.005 1.00 0.67 N ATOM 187 CA ARG A 102 6.156 17.732 6.010 1.00 0.76 C ATOM 188 C ARG A 102 7.410 18.477 5.547 1.00 0.68 C ATOM 189 O ARG A 102 7.486 19.688 5.618 1.00 0.78 O ATOM 190 CB ARG A 102 6.446 16.947 7.290 1.00 0.99 C ATOM 191 CG ARG A 102 5.473 17.378 8.389 1.00 1.30 C ATOM 192 CD ARG A 102 6.015 16.935 9.750 1.00 1.45 C ATOM 193 NE ARG A 102 5.118 17.579 10.749 1.00 2.12 N ATOM 194 CZ ARG A 102 5.384 17.487 12.024 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.442 16.836 12.429 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.592 18.046 12.897 1.00 3.37 N ATOM 0 H ARG A 102 5.587 15.772 5.384 1.00 0.67 H new ATOM 0 HA ARG A 102 5.376 18.479 6.155 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.348 15.878 7.103 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.473 17.122 7.611 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.344 18.460 8.371 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.492 16.937 8.215 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.999 15.849 9.847 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.049 17.252 9.885 1.00 1.45 H new ATOM 0 HE ARG A 102 4.294 18.093 10.437 1.00 2.12 H new ATOM 0 HH11 ARG A 102 7.063 16.398 11.748 1.00 3.07 H new ATOM 0 HH12 ARG A 102 6.647 16.766 13.426 1.00 3.07 H new ATOM 0 HH21 ARG A 102 3.765 18.555 12.583 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.799 17.974 13.893 1.00 3.37 H new ATOM 210 N MET A 103 8.394 17.764 5.076 1.00 0.71 N ATOM 211 CA MET A 103 9.644 18.432 4.613 1.00 0.75 C ATOM 212 C MET A 103 9.405 19.140 3.276 1.00 0.68 C ATOM 213 O MET A 103 9.734 20.297 3.110 1.00 0.83 O ATOM 214 CB MET A 103 10.658 17.300 4.449 1.00 0.93 C ATOM 215 CG MET A 103 11.164 16.866 5.827 1.00 1.27 C ATOM 216 SD MET A 103 12.969 16.736 5.794 1.00 1.82 S ATOM 217 CE MET A 103 13.328 18.385 6.449 1.00 2.43 C ATOM 0 H MET A 103 8.388 16.748 4.991 1.00 0.71 H new ATOM 0 HA MET A 103 9.990 19.192 5.314 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.197 16.456 3.936 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.492 17.631 3.831 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.855 17.587 6.583 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.725 15.907 6.102 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.407 18.523 6.515 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.905 19.140 5.786 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.888 18.486 7.441 1.00 2.43 H new ATOM 227 N PHE A 104 8.836 18.455 2.323 1.00 0.68 N ATOM 228 CA PHE A 104 8.579 19.092 0.999 1.00 0.79 C ATOM 229 C PHE A 104 7.894 20.448 1.188 1.00 0.71 C ATOM 230 O PHE A 104 8.235 21.421 0.546 1.00 0.88 O ATOM 231 CB PHE A 104 7.651 18.122 0.263 1.00 0.94 C ATOM 232 CG PHE A 104 8.258 16.737 0.258 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.639 16.572 0.429 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.437 15.617 0.082 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.197 15.287 0.424 1.00 2.65 C ATOM 236 CE2 PHE A 104 7.995 14.333 0.077 1.00 1.86 C ATOM 237 CZ PHE A 104 9.375 14.168 0.248 1.00 2.56 C ATOM 0 H PHE A 104 8.538 17.483 2.403 1.00 0.68 H new ATOM 0 HA PHE A 104 9.500 19.275 0.445 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.675 18.100 0.748 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.491 18.463 -0.760 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.273 17.436 0.565 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.373 15.743 -0.050 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.261 15.160 0.556 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.361 13.469 -0.059 1.00 1.86 H new ATOM 0 HZ PHE A 104 9.805 13.177 0.244 1.00 2.56 H new ATOM 247 N ASP A 105 6.927 20.517 2.062 1.00 0.61 N ATOM 248 CA ASP A 105 6.217 21.809 2.288 1.00 0.60 C ATOM 249 C ASP A 105 7.121 22.795 3.034 1.00 0.56 C ATOM 250 O ASP A 105 7.015 22.964 4.232 1.00 0.63 O ATOM 251 CB ASP A 105 5.001 21.447 3.141 1.00 0.68 C ATOM 252 CG ASP A 105 4.217 22.716 3.478 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.836 23.417 2.554 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.009 22.966 4.654 1.00 1.45 O ATOM 0 H ASP A 105 6.598 19.736 2.629 1.00 0.61 H new ATOM 0 HA ASP A 105 5.933 22.290 1.352 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.363 20.745 2.604 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.321 20.951 4.057 1.00 0.68 H new ATOM 259 N LYS A 106 8.004 23.452 2.333 1.00 0.59 N ATOM 260 CA LYS A 106 8.907 24.431 3.003 1.00 0.66 C ATOM 261 C LYS A 106 8.176 25.761 3.198 1.00 0.55 C ATOM 262 O LYS A 106 8.649 26.649 3.880 1.00 0.63 O ATOM 263 CB LYS A 106 10.090 24.602 2.048 1.00 0.87 C ATOM 264 CG LYS A 106 11.239 25.304 2.775 1.00 1.21 C ATOM 265 CD LYS A 106 12.569 24.901 2.134 1.00 1.61 C ATOM 266 CE LYS A 106 13.720 25.231 3.088 1.00 1.77 C ATOM 267 NZ LYS A 106 14.776 24.227 2.778 1.00 2.14 N ATOM 0 H LYS A 106 8.139 23.354 1.327 1.00 0.59 H new ATOM 0 HA LYS A 106 9.230 24.093 3.988 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.418 23.629 1.682 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.787 25.184 1.178 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.110 26.385 2.722 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.235 25.033 3.831 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.566 23.835 1.906 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.704 25.428 1.190 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.083 26.247 2.932 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.403 25.162 4.128 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.599 24.388 3.393 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.404 23.270 2.942 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.063 24.321 1.783 1.00 2.14 H new ATOM 281 N ASN A 107 7.024 25.903 2.601 1.00 0.48 N ATOM 282 CA ASN A 107 6.258 27.173 2.747 1.00 0.50 C ATOM 283 C ASN A 107 5.592 27.234 4.124 1.00 0.58 C ATOM 284 O ASN A 107 5.034 28.243 4.510 1.00 0.70 O ATOM 285 CB ASN A 107 5.201 27.125 1.642 1.00 0.54 C ATOM 286 CG ASN A 107 4.439 28.450 1.602 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.934 29.463 2.056 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.246 28.487 1.075 1.00 0.78 N ATOM 0 H ASN A 107 6.580 25.194 2.018 1.00 0.48 H new ATOM 0 HA ASN A 107 6.896 28.053 2.664 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.676 26.938 0.679 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.510 26.302 1.822 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.729 29.366 1.044 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.830 27.637 0.694 1.00 0.78 H new ATOM 295 N ALA A 108 5.643 26.162 4.867 1.00 0.65 N ATOM 296 CA ALA A 108 5.008 26.161 6.216 1.00 0.84 C ATOM 297 C ALA A 108 3.509 26.439 6.086 1.00 0.78 C ATOM 298 O ALA A 108 2.947 27.232 6.814 1.00 0.96 O ATOM 299 CB ALA A 108 5.702 27.289 6.980 1.00 1.03 C ATOM 0 H ALA A 108 6.096 25.288 4.599 1.00 0.65 H new ATOM 0 HA ALA A 108 5.112 25.203 6.726 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.289 27.354 7.987 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.771 27.085 7.038 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.541 28.233 6.460 1.00 1.03 H new ATOM 305 N ASP A 109 2.860 25.792 5.157 1.00 0.73 N ATOM 306 CA ASP A 109 1.399 26.017 4.968 1.00 0.74 C ATOM 307 C ASP A 109 0.638 24.699 5.146 1.00 0.78 C ATOM 308 O ASP A 109 -0.534 24.686 5.466 1.00 0.96 O ATOM 309 CB ASP A 109 1.273 26.532 3.531 1.00 0.72 C ATOM 310 CG ASP A 109 -0.154 26.317 3.020 1.00 1.15 C ATOM 311 OD1 ASP A 109 -1.073 26.788 3.670 1.00 1.95 O ATOM 312 OD2 ASP A 109 -0.302 25.687 1.985 1.00 1.66 O ATOM 0 H ASP A 109 3.280 25.116 4.519 1.00 0.73 H new ATOM 0 HA ASP A 109 0.982 26.718 5.691 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.526 27.592 3.492 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.981 26.012 2.886 1.00 0.72 H new ATOM 317 N GLY A 110 1.296 23.591 4.941 1.00 0.76 N ATOM 318 CA GLY A 110 0.611 22.278 5.098 1.00 0.85 C ATOM 319 C GLY A 110 0.215 21.741 3.722 1.00 0.70 C ATOM 320 O GLY A 110 -0.533 20.791 3.607 1.00 0.73 O ATOM 0 H GLY A 110 2.278 23.539 4.672 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.270 21.570 5.601 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.274 22.390 5.725 1.00 0.85 H new ATOM 324 N TYR A 111 0.711 22.343 2.676 1.00 0.68 N ATOM 325 CA TYR A 111 0.363 21.866 1.308 1.00 0.60 C ATOM 326 C TYR A 111 1.554 22.047 0.364 1.00 0.58 C ATOM 327 O TYR A 111 2.585 22.567 0.742 1.00 0.83 O ATOM 328 CB TYR A 111 -0.811 22.742 0.868 1.00 0.68 C ATOM 329 CG TYR A 111 -2.059 22.310 1.601 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.316 22.791 2.891 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.956 21.423 0.993 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.471 22.385 3.571 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.109 21.018 1.674 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.367 21.498 2.963 1.00 0.80 C ATOM 335 OH TYR A 111 -5.503 21.096 3.635 1.00 0.90 O ATOM 0 H TYR A 111 1.342 23.144 2.710 1.00 0.68 H new ATOM 0 HA TYR A 111 0.107 20.807 1.294 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.596 23.790 1.078 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.960 22.657 -0.208 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.624 23.474 3.361 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.758 21.052 -0.002 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.671 22.757 4.565 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.801 20.334 1.204 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.016 20.481 3.071 1.00 0.90 H new ATOM 345 N ILE A 112 1.422 21.616 -0.860 1.00 0.50 N ATOM 346 CA ILE A 112 2.548 21.759 -1.827 1.00 0.50 C ATOM 347 C ILE A 112 2.037 22.327 -3.155 1.00 0.49 C ATOM 348 O ILE A 112 1.249 21.709 -3.844 1.00 0.66 O ATOM 349 CB ILE A 112 3.084 20.338 -2.013 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.988 19.978 -0.833 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.891 20.249 -3.310 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.425 18.518 -0.956 1.00 0.66 C ATOM 0 H ILE A 112 0.583 21.171 -1.233 1.00 0.50 H new ATOM 0 HA ILE A 112 3.319 22.442 -1.472 1.00 0.50 H new ATOM 0 HB ILE A 112 2.245 19.644 -2.063 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.861 20.630 -0.817 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.457 20.133 0.106 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.269 19.234 -3.435 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.251 20.504 -4.155 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.729 20.945 -3.266 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.070 18.259 -0.116 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.546 17.873 -0.951 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.971 18.379 -1.889 1.00 0.66 H new ATOM 364 N ASP A 113 2.481 23.498 -3.518 1.00 0.47 N ATOM 365 CA ASP A 113 2.022 24.105 -4.799 1.00 0.50 C ATOM 366 C ASP A 113 3.037 23.827 -5.910 1.00 0.50 C ATOM 367 O ASP A 113 3.961 23.056 -5.742 1.00 0.57 O ATOM 368 CB ASP A 113 1.936 25.605 -4.516 1.00 0.60 C ATOM 369 CG ASP A 113 0.943 26.252 -5.483 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.169 25.524 -6.081 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.974 27.465 -5.609 1.00 1.85 O ATOM 0 H ASP A 113 3.142 24.061 -2.983 1.00 0.47 H new ATOM 0 HA ASP A 113 1.068 23.696 -5.131 1.00 0.50 H new ATOM 0 HB2 ASP A 113 1.620 25.774 -3.487 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.919 26.063 -4.627 1.00 0.60 H new ATOM 376 N LEU A 114 2.874 24.451 -7.045 1.00 0.52 N ATOM 377 CA LEU A 114 3.832 24.223 -8.165 1.00 0.57 C ATOM 378 C LEU A 114 5.168 24.908 -7.864 1.00 0.63 C ATOM 379 O LEU A 114 6.201 24.527 -8.377 1.00 0.80 O ATOM 380 CB LEU A 114 3.167 24.853 -9.390 1.00 0.62 C ATOM 381 CG LEU A 114 2.176 23.860 -9.999 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.907 24.600 -10.427 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.811 23.191 -11.220 1.00 0.81 C ATOM 0 H LEU A 114 2.120 25.108 -7.245 1.00 0.52 H new ATOM 0 HA LEU A 114 4.046 23.165 -8.318 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.651 25.770 -9.106 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.922 25.127 -10.126 1.00 0.62 H new ATOM 0 HG LEU A 114 1.921 23.102 -9.258 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.201 23.891 -10.861 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.454 25.078 -9.558 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.161 25.359 -11.167 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.106 22.483 -11.655 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.066 23.950 -11.960 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.715 22.663 -10.916 1.00 0.81 H new ATOM 395 N ASP A 115 5.155 25.916 -7.034 1.00 0.61 N ATOM 396 CA ASP A 115 6.426 26.622 -6.699 1.00 0.71 C ATOM 397 C ASP A 115 7.116 25.932 -5.519 1.00 0.65 C ATOM 398 O ASP A 115 8.272 26.173 -5.236 1.00 0.89 O ATOM 399 CB ASP A 115 6.004 28.041 -6.317 1.00 0.80 C ATOM 400 CG ASP A 115 5.484 28.770 -7.557 1.00 1.17 C ATOM 401 OD1 ASP A 115 4.402 28.433 -8.008 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.177 29.654 -8.033 1.00 1.76 O ATOM 0 H ASP A 115 4.321 26.281 -6.574 1.00 0.61 H new ATOM 0 HA ASP A 115 7.132 26.618 -7.529 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.230 28.008 -5.550 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.850 28.582 -5.892 1.00 0.80 H new ATOM 407 N GLU A 116 6.413 25.075 -4.829 1.00 0.51 N ATOM 408 CA GLU A 116 7.025 24.367 -3.668 1.00 0.48 C ATOM 409 C GLU A 116 7.564 23.004 -4.109 1.00 0.49 C ATOM 410 O GLU A 116 8.476 22.462 -3.517 1.00 0.63 O ATOM 411 CB GLU A 116 5.883 24.191 -2.665 1.00 0.48 C ATOM 412 CG GLU A 116 5.111 25.505 -2.534 1.00 0.57 C ATOM 413 CD GLU A 116 4.261 25.474 -1.261 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.090 24.398 -0.712 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.796 26.527 -0.857 1.00 1.36 O ATOM 0 H GLU A 116 5.440 24.834 -5.019 1.00 0.51 H new ATOM 0 HA GLU A 116 7.862 24.919 -3.240 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.215 23.396 -2.995 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.280 23.892 -1.695 1.00 0.48 H new ATOM 0 HG2 GLU A 116 5.805 26.345 -2.500 1.00 0.57 H new ATOM 0 HG3 GLU A 116 4.474 25.653 -3.406 1.00 0.57 H new ATOM 422 N LEU A 117 7.002 22.445 -5.146 1.00 0.48 N ATOM 423 CA LEU A 117 7.473 21.117 -5.630 1.00 0.52 C ATOM 424 C LEU A 117 8.932 21.202 -6.087 1.00 0.58 C ATOM 425 O LEU A 117 9.613 20.204 -6.204 1.00 0.69 O ATOM 426 CB LEU A 117 6.567 20.786 -6.818 1.00 0.55 C ATOM 427 CG LEU A 117 5.180 20.387 -6.314 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.139 20.695 -7.392 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.165 18.888 -6.007 1.00 0.53 C ATOM 0 H LEU A 117 6.235 22.853 -5.680 1.00 0.48 H new ATOM 0 HA LEU A 117 7.427 20.357 -4.850 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.490 21.649 -7.480 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.000 19.974 -7.402 1.00 0.55 H new ATOM 0 HG LEU A 117 4.945 20.948 -5.410 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.149 20.411 -7.034 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.152 21.762 -7.616 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.373 20.132 -8.295 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.177 18.600 -5.647 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.398 18.329 -6.913 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.909 18.666 -5.242 1.00 0.53 H new ATOM 441 N LYS A 118 9.412 22.384 -6.357 1.00 0.59 N ATOM 442 CA LYS A 118 10.824 22.529 -6.819 1.00 0.69 C ATOM 443 C LYS A 118 11.759 22.801 -5.636 1.00 0.64 C ATOM 444 O LYS A 118 12.961 22.666 -5.743 1.00 0.73 O ATOM 445 CB LYS A 118 10.807 23.722 -7.775 1.00 0.83 C ATOM 446 CG LYS A 118 10.398 24.986 -7.014 1.00 0.99 C ATOM 447 CD LYS A 118 10.557 26.203 -7.926 1.00 1.35 C ATOM 448 CE LYS A 118 11.944 26.818 -7.721 1.00 1.51 C ATOM 449 NZ LYS A 118 11.759 28.273 -7.976 1.00 1.99 N ATOM 0 H LYS A 118 8.889 23.256 -6.278 1.00 0.59 H new ATOM 0 HA LYS A 118 11.190 21.622 -7.300 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.792 23.857 -8.221 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.110 23.536 -8.592 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.365 24.903 -6.678 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.015 25.103 -6.123 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.428 25.909 -8.968 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.785 26.940 -7.705 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.311 26.637 -6.711 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.673 26.386 -8.407 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.667 28.765 -7.855 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.415 28.414 -8.947 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.065 28.658 -7.304 1.00 1.99 H new ATOM 463 N ILE A 119 11.223 23.188 -4.511 1.00 0.68 N ATOM 464 CA ILE A 119 12.094 23.471 -3.333 1.00 0.74 C ATOM 465 C ILE A 119 12.278 22.211 -2.482 1.00 0.75 C ATOM 466 O ILE A 119 13.310 22.007 -1.874 1.00 0.85 O ATOM 467 CB ILE A 119 11.353 24.548 -2.541 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.053 25.738 -3.456 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.225 25.010 -1.373 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.166 26.742 -2.717 1.00 1.06 C ATOM 0 H ILE A 119 10.224 23.320 -4.356 1.00 0.68 H new ATOM 0 HA ILE A 119 13.091 23.795 -3.632 1.00 0.74 H new ATOM 0 HB ILE A 119 10.418 24.140 -2.158 1.00 0.98 H new ATOM 0 HG12 ILE A 119 11.983 26.216 -3.764 1.00 1.22 H new ATOM 0 HG13 ILE A 119 10.555 25.396 -4.363 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.698 25.778 -0.807 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.440 24.163 -0.722 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.160 25.419 -1.756 1.00 1.08 H new ATOM 0 HD11 ILE A 119 9.953 27.589 -3.370 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.231 26.260 -2.431 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.681 27.093 -1.823 1.00 1.06 H new ATOM 482 N MET A 120 11.285 21.367 -2.428 1.00 0.85 N ATOM 483 CA MET A 120 11.403 20.125 -1.609 1.00 1.01 C ATOM 484 C MET A 120 12.629 19.311 -2.034 1.00 0.95 C ATOM 485 O MET A 120 13.155 18.524 -1.272 1.00 1.11 O ATOM 486 CB MET A 120 10.121 19.342 -1.890 1.00 1.17 C ATOM 487 CG MET A 120 10.105 18.897 -3.354 1.00 1.52 C ATOM 488 SD MET A 120 8.469 18.244 -3.769 1.00 1.88 S ATOM 489 CE MET A 120 8.743 16.550 -3.195 1.00 1.43 C ATOM 0 H MET A 120 10.396 21.483 -2.915 1.00 0.85 H new ATOM 0 HA MET A 120 11.526 20.347 -0.549 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.062 18.473 -1.234 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.250 19.962 -1.678 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.348 19.738 -4.003 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.866 18.135 -3.522 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.834 16.174 -2.725 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.003 15.916 -4.043 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.557 16.539 -2.471 1.00 1.43 H new ATOM 499 N LEU A 121 13.086 19.486 -3.243 1.00 0.87 N ATOM 500 CA LEU A 121 14.274 18.712 -3.707 1.00 0.95 C ATOM 501 C LEU A 121 15.569 19.429 -3.311 1.00 0.87 C ATOM 502 O LEU A 121 16.651 18.893 -3.447 1.00 0.97 O ATOM 503 CB LEU A 121 14.138 18.651 -5.228 1.00 1.09 C ATOM 504 CG LEU A 121 12.945 17.770 -5.600 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.959 18.579 -6.444 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.433 16.564 -6.405 1.00 1.80 C ATOM 0 H LEU A 121 12.690 20.129 -3.929 1.00 0.87 H new ATOM 0 HA LEU A 121 14.316 17.719 -3.260 1.00 0.95 H new ATOM 0 HB2 LEU A 121 14.002 19.654 -5.632 1.00 1.09 H new ATOM 0 HB3 LEU A 121 15.051 18.251 -5.669 1.00 1.09 H new ATOM 0 HG LEU A 121 12.451 17.425 -4.692 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.108 17.952 -6.710 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.611 19.439 -5.872 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.454 18.923 -7.352 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.583 15.936 -6.670 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.927 16.909 -7.313 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.137 15.987 -5.805 1.00 1.80 H new ATOM 518 N GLN A 122 15.468 20.634 -2.822 1.00 0.82 N ATOM 519 CA GLN A 122 16.696 21.378 -2.417 1.00 0.95 C ATOM 520 C GLN A 122 17.613 20.476 -1.585 1.00 1.04 C ATOM 521 O GLN A 122 18.806 20.692 -1.504 1.00 1.19 O ATOM 522 CB GLN A 122 16.189 22.549 -1.574 1.00 1.14 C ATOM 523 CG GLN A 122 15.403 23.516 -2.462 1.00 1.42 C ATOM 524 CD GLN A 122 16.219 24.793 -2.670 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.412 24.810 -2.443 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.621 25.873 -3.093 1.00 2.28 N ATOM 0 H GLN A 122 14.591 21.136 -2.685 1.00 0.82 H new ATOM 0 HA GLN A 122 17.277 21.714 -3.276 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.554 22.182 -0.767 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.028 23.066 -1.109 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.186 23.050 -3.423 1.00 1.42 H new ATOM 0 HG3 GLN A 122 14.445 23.755 -2.000 1.00 1.42 H new ATOM 0 HE21 GLN A 122 14.619 25.860 -3.284 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.155 26.730 -3.233 1.00 2.28 H new ATOM 535 N ALA A 123 17.065 19.468 -0.963 1.00 1.09 N ATOM 536 CA ALA A 123 17.906 18.557 -0.135 1.00 1.33 C ATOM 537 C ALA A 123 18.495 17.440 -1.002 1.00 1.38 C ATOM 538 O ALA A 123 19.444 16.783 -0.621 1.00 1.62 O ATOM 539 CB ALA A 123 16.953 17.977 0.909 1.00 1.45 C ATOM 0 H ALA A 123 16.072 19.236 -0.992 1.00 1.09 H new ATOM 0 HA ALA A 123 18.747 19.078 0.323 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.498 17.294 1.560 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.530 18.786 1.505 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.149 17.437 0.408 1.00 1.45 H new ATOM 545 N THR A 124 17.940 17.217 -2.162 1.00 1.29 N ATOM 546 CA THR A 124 18.473 16.138 -3.043 1.00 1.47 C ATOM 547 C THR A 124 19.131 16.742 -4.289 1.00 1.44 C ATOM 548 O THR A 124 19.182 16.128 -5.336 1.00 1.72 O ATOM 549 CB THR A 124 17.253 15.296 -3.425 1.00 1.56 C ATOM 550 OG1 THR A 124 17.686 14.045 -3.940 1.00 2.16 O ATOM 551 CG2 THR A 124 16.428 16.028 -4.485 1.00 1.92 C ATOM 0 H THR A 124 17.144 17.733 -2.537 1.00 1.29 H new ATOM 0 HA THR A 124 19.237 15.540 -2.546 1.00 1.47 H new ATOM 0 HB THR A 124 16.636 15.134 -2.541 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.369 14.193 -4.627 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.561 15.424 -4.753 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.094 16.986 -4.088 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.041 16.196 -5.371 1.00 1.92 H new ATOM 559 N GLY A 125 19.639 17.939 -4.181 1.00 1.26 N ATOM 560 CA GLY A 125 20.300 18.579 -5.356 1.00 1.32 C ATOM 561 C GLY A 125 19.281 19.418 -6.128 1.00 1.26 C ATOM 562 O GLY A 125 19.630 20.361 -6.811 1.00 1.63 O ATOM 0 H GLY A 125 19.625 18.502 -3.331 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.125 19.208 -5.023 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.724 17.815 -6.007 1.00 1.32 H new ATOM 566 N GLU A 126 18.025 19.086 -6.025 1.00 1.02 N ATOM 567 CA GLU A 126 16.986 19.867 -6.753 1.00 1.08 C ATOM 568 C GLU A 126 17.437 20.144 -8.189 1.00 0.89 C ATOM 569 O GLU A 126 17.294 21.242 -8.690 1.00 0.87 O ATOM 570 CB GLU A 126 16.859 21.176 -5.974 1.00 1.34 C ATOM 571 CG GLU A 126 15.604 21.925 -6.429 1.00 1.45 C ATOM 572 CD GLU A 126 15.791 23.425 -6.189 1.00 1.61 C ATOM 573 OE1 GLU A 126 16.822 23.795 -5.652 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.900 24.177 -6.546 1.00 2.16 O ATOM 0 H GLU A 126 17.672 18.308 -5.468 1.00 1.02 H new ATOM 0 HA GLU A 126 16.038 19.332 -6.816 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.805 20.971 -4.905 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.742 21.794 -6.135 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.417 21.735 -7.486 1.00 1.45 H new ATOM 0 HG3 GLU A 126 14.733 21.564 -5.882 1.00 1.45 H new ATOM 581 N THR A 127 17.977 19.162 -8.859 1.00 1.09 N ATOM 582 CA THR A 127 18.427 19.390 -10.261 1.00 1.21 C ATOM 583 C THR A 127 17.409 18.807 -11.242 1.00 1.29 C ATOM 584 O THR A 127 17.472 17.650 -11.607 1.00 1.60 O ATOM 585 CB THR A 127 19.761 18.652 -10.374 1.00 1.57 C ATOM 586 OG1 THR A 127 20.271 18.799 -11.692 1.00 1.91 O ATOM 587 CG2 THR A 127 19.550 17.167 -10.069 1.00 2.18 C ATOM 0 H THR A 127 18.125 18.219 -8.499 1.00 1.09 H new ATOM 0 HA THR A 127 18.526 20.450 -10.496 1.00 1.21 H new ATOM 0 HB THR A 127 20.471 19.070 -9.661 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.127 18.328 -11.766 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.501 16.640 -10.149 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.158 17.055 -9.058 1.00 2.18 H new ATOM 0 HG23 THR A 127 18.841 16.746 -10.782 1.00 2.18 H new ATOM 595 N ILE A 128 16.476 19.606 -11.677 1.00 1.08 N ATOM 596 CA ILE A 128 15.455 19.111 -12.642 1.00 1.20 C ATOM 597 C ILE A 128 15.200 20.169 -13.717 1.00 1.18 C ATOM 598 O ILE A 128 15.553 21.322 -13.561 1.00 1.15 O ATOM 599 CB ILE A 128 14.200 18.875 -11.804 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.082 18.341 -12.701 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.755 20.190 -11.164 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.232 17.341 -11.915 1.00 2.03 C ATOM 0 H ILE A 128 16.376 20.584 -11.405 1.00 1.08 H new ATOM 0 HA ILE A 128 15.771 18.204 -13.157 1.00 1.20 H new ATOM 0 HB ILE A 128 14.419 18.148 -11.022 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.461 19.164 -13.055 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.506 17.860 -13.582 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.859 20.019 -10.567 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.551 20.571 -10.524 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.537 20.919 -11.944 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.435 16.960 -12.554 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.858 16.513 -11.583 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.796 17.837 -11.048 1.00 2.03 H new ATOM 614 N THR A 129 14.583 19.796 -14.803 1.00 1.34 N ATOM 615 CA THR A 129 14.303 20.794 -15.873 1.00 1.42 C ATOM 616 C THR A 129 13.113 21.668 -15.467 1.00 1.16 C ATOM 617 O THR A 129 12.126 21.185 -14.949 1.00 0.97 O ATOM 618 CB THR A 129 13.969 19.964 -17.113 1.00 1.64 C ATOM 619 OG1 THR A 129 13.631 18.642 -16.718 1.00 2.23 O ATOM 620 CG2 THR A 129 15.182 19.928 -18.044 1.00 2.28 C ATOM 0 H THR A 129 14.262 18.847 -14.996 1.00 1.34 H new ATOM 0 HA THR A 129 15.145 21.463 -16.053 1.00 1.42 H new ATOM 0 HB THR A 129 13.125 20.413 -17.637 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.661 18.519 -16.784 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.945 19.336 -18.928 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.440 20.943 -18.345 1.00 2.28 H new ATOM 0 HG23 THR A 129 16.027 19.478 -17.523 1.00 2.28 H new ATOM 628 N GLU A 130 13.198 22.950 -15.695 1.00 1.31 N ATOM 629 CA GLU A 130 12.070 23.849 -15.316 1.00 1.28 C ATOM 630 C GLU A 130 10.771 23.370 -15.967 1.00 1.16 C ATOM 631 O GLU A 130 9.687 23.677 -15.513 1.00 1.21 O ATOM 632 CB GLU A 130 12.463 25.228 -15.848 1.00 1.69 C ATOM 633 CG GLU A 130 12.613 25.165 -17.368 1.00 2.05 C ATOM 634 CD GLU A 130 13.670 26.175 -17.819 1.00 2.43 C ATOM 635 OE1 GLU A 130 14.835 25.950 -17.536 1.00 3.03 O ATOM 636 OE2 GLU A 130 13.296 27.157 -18.440 1.00 2.70 O ATOM 0 H GLU A 130 13.998 23.414 -16.126 1.00 1.31 H new ATOM 0 HA GLU A 130 11.898 23.864 -14.240 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.705 25.963 -15.577 1.00 1.69 H new ATOM 0 HB3 GLU A 130 13.399 25.552 -15.393 1.00 1.69 H new ATOM 0 HG2 GLU A 130 12.902 24.159 -17.674 1.00 2.05 H new ATOM 0 HG3 GLU A 130 11.659 25.383 -17.848 1.00 2.05 H new ATOM 643 N ASP A 131 10.872 22.616 -17.028 1.00 1.18 N ATOM 644 CA ASP A 131 9.643 22.116 -17.707 1.00 1.19 C ATOM 645 C ASP A 131 9.061 20.928 -16.936 1.00 1.07 C ATOM 646 O ASP A 131 7.948 20.502 -17.177 1.00 1.14 O ATOM 647 CB ASP A 131 10.109 21.678 -19.096 1.00 1.44 C ATOM 648 CG ASP A 131 8.924 21.111 -19.879 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.373 20.115 -19.441 1.00 2.07 O ATOM 650 OD2 ASP A 131 8.587 21.683 -20.903 1.00 1.91 O ATOM 0 H ASP A 131 11.752 22.325 -17.454 1.00 1.18 H new ATOM 0 HA ASP A 131 8.862 22.874 -17.760 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.539 22.525 -19.630 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.893 20.926 -19.007 1.00 1.44 H new ATOM 655 N ASP A 132 9.806 20.391 -16.008 1.00 1.00 N ATOM 656 CA ASP A 132 9.297 19.231 -15.220 1.00 1.03 C ATOM 657 C ASP A 132 8.613 19.719 -13.941 1.00 0.88 C ATOM 658 O ASP A 132 7.780 19.039 -13.374 1.00 1.03 O ATOM 659 CB ASP A 132 10.540 18.406 -14.883 1.00 1.13 C ATOM 660 CG ASP A 132 10.720 17.302 -15.927 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.718 16.801 -16.410 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.858 16.977 -16.226 1.00 1.99 O ATOM 0 H ASP A 132 10.745 20.705 -15.761 1.00 1.00 H new ATOM 0 HA ASP A 132 8.559 18.649 -15.771 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.421 19.048 -14.862 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.441 17.969 -13.890 1.00 1.13 H new ATOM 667 N ILE A 133 8.956 20.891 -13.482 1.00 0.75 N ATOM 668 CA ILE A 133 8.322 21.420 -12.239 1.00 0.77 C ATOM 669 C ILE A 133 6.805 21.225 -12.300 1.00 0.70 C ATOM 670 O ILE A 133 6.168 20.926 -11.310 1.00 0.82 O ATOM 671 CB ILE A 133 8.669 22.909 -12.216 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.187 23.077 -12.124 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.011 23.568 -11.002 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.711 22.325 -10.899 1.00 1.00 C ATOM 0 H ILE A 133 9.647 21.505 -13.913 1.00 0.75 H new ATOM 0 HA ILE A 133 8.676 20.907 -11.345 1.00 0.77 H new ATOM 0 HB ILE A 133 8.304 23.381 -13.129 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.661 22.695 -13.028 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.443 24.134 -12.052 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.258 24.629 -10.986 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.929 23.448 -11.065 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.376 23.096 -10.090 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.792 22.445 -10.834 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.246 22.727 -9.999 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.468 21.266 -10.991 1.00 1.00 H new ATOM 686 N GLU A 134 6.224 21.392 -13.456 1.00 0.61 N ATOM 687 CA GLU A 134 4.749 21.217 -13.582 1.00 0.64 C ATOM 688 C GLU A 134 4.419 19.779 -13.992 1.00 0.64 C ATOM 689 O GLU A 134 3.317 19.306 -13.799 1.00 0.76 O ATOM 690 CB GLU A 134 4.327 22.199 -14.675 1.00 0.73 C ATOM 691 CG GLU A 134 4.952 23.568 -14.398 1.00 0.89 C ATOM 692 CD GLU A 134 5.854 23.972 -15.567 1.00 1.21 C ATOM 693 OE1 GLU A 134 5.829 23.288 -16.576 1.00 1.86 O ATOM 694 OE2 GLU A 134 6.556 24.961 -15.433 1.00 1.87 O ATOM 0 H GLU A 134 6.707 21.642 -14.319 1.00 0.61 H new ATOM 0 HA GLU A 134 4.228 21.404 -12.643 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.645 21.833 -15.651 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.241 22.282 -14.705 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.169 24.313 -14.256 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.531 23.534 -13.475 1.00 0.89 H new ATOM 701 N GLU A 135 5.366 19.078 -14.553 1.00 0.59 N ATOM 702 CA GLU A 135 5.102 17.671 -14.970 1.00 0.67 C ATOM 703 C GLU A 135 4.725 16.827 -13.751 1.00 0.74 C ATOM 704 O GLU A 135 3.811 16.026 -13.795 1.00 0.91 O ATOM 705 CB GLU A 135 6.419 17.181 -15.575 1.00 0.72 C ATOM 706 CG GLU A 135 6.174 15.889 -16.357 1.00 1.16 C ATOM 707 CD GLU A 135 6.535 16.106 -17.828 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.114 17.109 -18.378 1.00 2.03 O ATOM 709 OE2 GLU A 135 7.227 15.265 -18.378 1.00 2.29 O ATOM 0 H GLU A 135 6.309 19.418 -14.740 1.00 0.59 H new ATOM 0 HA GLU A 135 4.278 17.596 -15.679 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.835 17.944 -16.234 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.151 17.008 -14.786 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.774 15.080 -15.940 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.130 15.590 -16.268 1.00 1.16 H new ATOM 716 N LEU A 136 5.420 17.001 -12.661 1.00 0.73 N ATOM 717 CA LEU A 136 5.100 16.211 -11.438 1.00 0.87 C ATOM 718 C LEU A 136 3.654 16.465 -11.005 1.00 0.81 C ATOM 719 O LEU A 136 2.909 15.548 -10.721 1.00 1.00 O ATOM 720 CB LEU A 136 6.073 16.720 -10.374 1.00 0.99 C ATOM 721 CG LEU A 136 7.510 16.512 -10.854 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.330 17.774 -10.577 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.129 15.330 -10.106 1.00 1.75 C ATOM 0 H LEU A 136 6.196 17.656 -12.564 1.00 0.73 H new ATOM 0 HA LEU A 136 5.198 15.138 -11.603 1.00 0.87 H new ATOM 0 HB2 LEU A 136 5.893 17.777 -10.178 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.912 16.190 -9.435 1.00 0.99 H new ATOM 0 HG LEU A 136 7.509 16.307 -11.925 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.354 17.625 -10.919 1.00 1.74 H new ATOM 0 HD12 LEU A 136 7.889 18.618 -11.108 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.332 17.979 -9.506 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.153 15.180 -10.447 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.129 15.536 -9.036 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.546 14.430 -10.302 1.00 1.75 H new ATOM 735 N MET A 137 3.252 17.706 -10.950 1.00 0.67 N ATOM 736 CA MET A 137 1.856 18.022 -10.532 1.00 0.71 C ATOM 737 C MET A 137 0.867 17.070 -11.211 1.00 0.68 C ATOM 738 O MET A 137 -0.142 16.702 -10.644 1.00 0.70 O ATOM 739 CB MET A 137 1.620 19.459 -10.997 1.00 0.82 C ATOM 740 CG MET A 137 0.134 19.801 -10.867 1.00 0.99 C ATOM 741 SD MET A 137 -0.046 21.439 -10.119 1.00 0.94 S ATOM 742 CE MET A 137 0.597 21.013 -8.482 1.00 0.53 C ATOM 0 H MET A 137 3.830 18.515 -11.177 1.00 0.67 H new ATOM 0 HA MET A 137 1.714 17.911 -9.457 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.216 20.148 -10.399 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.941 19.575 -12.032 1.00 0.82 H new ATOM 0 HG2 MET A 137 -0.341 19.783 -11.848 1.00 0.99 H new ATOM 0 HG3 MET A 137 -0.370 19.053 -10.255 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.136 21.655 -7.732 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.366 19.971 -8.260 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.677 21.156 -8.467 1.00 0.53 H new ATOM 752 N LYS A 138 1.147 16.672 -12.421 1.00 0.76 N ATOM 753 CA LYS A 138 0.218 15.749 -13.136 1.00 0.82 C ATOM 754 C LYS A 138 0.005 14.466 -12.325 1.00 0.72 C ATOM 755 O LYS A 138 -1.106 14.004 -12.159 1.00 0.84 O ATOM 756 CB LYS A 138 0.915 15.434 -14.460 1.00 0.99 C ATOM 757 CG LYS A 138 1.075 16.721 -15.272 1.00 1.57 C ATOM 758 CD LYS A 138 -0.102 16.866 -16.238 1.00 2.09 C ATOM 759 CE LYS A 138 -0.560 18.326 -16.267 1.00 2.74 C ATOM 760 NZ LYS A 138 -1.917 18.315 -15.655 1.00 3.43 N ATOM 0 H LYS A 138 1.978 16.945 -12.946 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.766 16.194 -13.285 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.891 14.987 -14.272 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.334 14.705 -15.025 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.119 17.581 -14.604 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.013 16.699 -15.826 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.192 16.546 -17.238 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.924 16.222 -15.926 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.121 18.965 -15.705 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -0.590 18.710 -17.287 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -2.299 19.282 -15.639 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -2.545 17.704 -16.215 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -1.856 17.951 -14.683 1.00 3.43 H new ATOM 774 N ASP A 139 1.061 13.884 -11.827 1.00 0.75 N ATOM 775 CA ASP A 139 0.918 12.628 -11.034 1.00 0.78 C ATOM 776 C ASP A 139 0.611 12.949 -9.568 1.00 0.70 C ATOM 777 O ASP A 139 -0.074 12.208 -8.892 1.00 0.81 O ATOM 778 CB ASP A 139 2.275 11.932 -11.155 1.00 0.97 C ATOM 779 CG ASP A 139 2.505 11.508 -12.606 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.942 12.140 -13.484 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.241 10.557 -12.815 1.00 1.69 O ATOM 0 H ASP A 139 2.017 14.223 -11.934 1.00 0.75 H new ATOM 0 HA ASP A 139 0.100 12.005 -11.396 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.070 12.604 -10.831 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.308 11.061 -10.501 1.00 0.97 H new ATOM 786 N GLY A 140 1.117 14.044 -9.070 1.00 0.64 N ATOM 787 CA GLY A 140 0.857 14.403 -7.647 1.00 0.62 C ATOM 788 C GLY A 140 -0.387 15.285 -7.548 1.00 0.57 C ATOM 789 O GLY A 140 -0.714 15.792 -6.493 1.00 0.65 O ATOM 0 H GLY A 140 1.698 14.705 -9.586 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.719 13.498 -7.055 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.718 14.927 -7.233 1.00 0.62 H new ATOM 793 N ASP A 141 -1.088 15.475 -8.631 1.00 0.56 N ATOM 794 CA ASP A 141 -2.310 16.326 -8.576 1.00 0.56 C ATOM 795 C ASP A 141 -3.117 16.202 -9.871 1.00 0.58 C ATOM 796 O ASP A 141 -3.476 17.188 -10.482 1.00 0.64 O ATOM 797 CB ASP A 141 -1.791 17.754 -8.407 1.00 0.60 C ATOM 798 CG ASP A 141 -2.698 18.515 -7.439 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.593 17.896 -6.887 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.482 19.703 -7.265 1.00 1.23 O ATOM 0 H ASP A 141 -0.870 15.081 -9.546 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.975 16.030 -7.764 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.769 17.738 -8.028 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.766 18.260 -9.372 1.00 0.60 H new ATOM 805 N LYS A 142 -3.415 15.002 -10.291 1.00 0.62 N ATOM 806 CA LYS A 142 -4.210 14.838 -11.541 1.00 0.70 C ATOM 807 C LYS A 142 -5.513 15.632 -11.424 1.00 0.79 C ATOM 808 O LYS A 142 -6.144 15.962 -12.409 1.00 0.92 O ATOM 809 CB LYS A 142 -4.494 13.339 -11.646 1.00 0.79 C ATOM 810 CG LYS A 142 -4.136 12.852 -13.052 1.00 0.88 C ATOM 811 CD LYS A 142 -4.488 11.370 -13.189 1.00 1.37 C ATOM 812 CE LYS A 142 -3.240 10.521 -12.932 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.304 10.863 -14.041 1.00 2.44 N ATOM 0 H LYS A 142 -3.145 14.135 -9.827 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.685 15.204 -12.423 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -3.913 12.794 -10.902 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.545 13.141 -11.437 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.677 13.435 -13.798 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.073 13.002 -13.240 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.273 11.105 -12.481 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.878 11.169 -14.187 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.801 10.749 -11.961 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.479 9.458 -12.932 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.811 10.004 -14.356 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.840 11.266 -14.836 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.607 11.559 -13.705 1.00 2.44 H new ATOM 827 N ASN A 143 -5.911 15.951 -10.222 1.00 0.80 N ATOM 828 CA ASN A 143 -7.165 16.735 -10.031 1.00 0.95 C ATOM 829 C ASN A 143 -6.904 18.208 -10.356 1.00 0.92 C ATOM 830 O ASN A 143 -7.798 18.943 -10.726 1.00 1.08 O ATOM 831 CB ASN A 143 -7.517 16.561 -8.552 1.00 1.07 C ATOM 832 CG ASN A 143 -8.493 17.658 -8.120 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.371 18.037 -8.870 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.375 18.188 -6.933 1.00 1.70 N ATOM 0 H ASN A 143 -5.421 15.702 -9.363 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.975 16.401 -10.680 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.962 15.580 -8.387 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.612 16.606 -7.945 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.020 18.920 -6.635 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.638 17.870 -6.303 1.00 1.70 H new ATOM 841 N ASN A 144 -5.680 18.641 -10.222 1.00 0.86 N ATOM 842 CA ASN A 144 -5.352 20.063 -10.523 1.00 0.93 C ATOM 843 C ASN A 144 -6.266 21.000 -9.732 1.00 1.03 C ATOM 844 O ASN A 144 -7.316 21.400 -10.197 1.00 1.71 O ATOM 845 CB ASN A 144 -5.592 20.215 -12.025 1.00 1.08 C ATOM 846 CG ASN A 144 -4.284 20.614 -12.710 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.225 20.523 -12.123 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.313 21.055 -13.938 1.00 1.97 N ATOM 0 H ASN A 144 -4.892 18.070 -9.917 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.329 20.317 -10.247 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.963 19.279 -12.442 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.356 20.970 -12.208 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.446 21.323 -14.404 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -5.202 21.132 -14.432 1.00 1.97 H new ATOM 855 N ASP A 145 -5.872 21.356 -8.542 1.00 0.88 N ATOM 856 CA ASP A 145 -6.714 22.270 -7.719 1.00 0.92 C ATOM 857 C ASP A 145 -5.882 23.468 -7.250 1.00 0.91 C ATOM 858 O ASP A 145 -6.356 24.319 -6.524 1.00 1.07 O ATOM 859 CB ASP A 145 -7.164 21.427 -6.526 1.00 0.93 C ATOM 860 CG ASP A 145 -5.957 21.108 -5.643 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.852 21.119 -6.159 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.159 20.858 -4.466 1.00 1.89 O ATOM 0 H ASP A 145 -5.003 21.054 -8.102 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.562 22.669 -8.276 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.917 21.965 -5.950 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.628 20.504 -6.874 1.00 0.93 H new ATOM 867 N GLY A 146 -4.643 23.539 -7.660 1.00 0.84 N ATOM 868 CA GLY A 146 -3.782 24.680 -7.238 1.00 0.92 C ATOM 869 C GLY A 146 -2.907 24.256 -6.056 1.00 0.66 C ATOM 870 O GLY A 146 -2.131 25.034 -5.537 1.00 0.74 O ATOM 0 H GLY A 146 -4.191 22.856 -8.268 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.155 25.002 -8.070 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.402 25.531 -6.957 1.00 0.92 H new ATOM 874 N ARG A 147 -3.022 23.029 -5.624 1.00 0.56 N ATOM 875 CA ARG A 147 -2.193 22.566 -4.474 1.00 0.54 C ATOM 876 C ARG A 147 -2.167 21.037 -4.415 1.00 0.46 C ATOM 877 O ARG A 147 -3.109 20.374 -4.802 1.00 0.45 O ATOM 878 CB ARG A 147 -2.885 23.135 -3.235 1.00 0.77 C ATOM 879 CG ARG A 147 -2.006 24.222 -2.614 1.00 1.39 C ATOM 880 CD ARG A 147 -2.836 25.489 -2.398 1.00 1.79 C ATOM 881 NE ARG A 147 -1.832 26.574 -2.229 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.221 27.804 -2.029 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.494 28.090 -1.969 1.00 3.10 N ATOM 884 NH2 ARG A 147 -1.334 28.749 -1.884 1.00 3.37 N ATOM 0 H ARG A 147 -3.652 22.329 -6.016 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.158 22.897 -4.555 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.857 23.549 -3.506 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.067 22.341 -2.510 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.598 23.876 -1.664 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.159 24.436 -3.266 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.490 25.684 -3.248 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.474 25.399 -1.519 1.00 1.79 H new ATOM 0 HE ARG A 147 -0.836 26.356 -2.270 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.188 27.351 -2.079 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -3.794 29.052 -1.813 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -0.340 28.526 -1.927 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -1.635 29.711 -1.728 1.00 3.37 H new ATOM 898 N ILE A 148 -1.096 20.472 -3.930 1.00 0.49 N ATOM 899 CA ILE A 148 -1.011 18.986 -3.843 1.00 0.44 C ATOM 900 C ILE A 148 -1.207 18.532 -2.395 1.00 0.46 C ATOM 901 O ILE A 148 -0.270 18.461 -1.624 1.00 0.63 O ATOM 902 CB ILE A 148 0.397 18.636 -4.323 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.640 19.259 -5.699 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.537 17.116 -4.424 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.025 18.851 -6.203 1.00 0.63 C ATOM 0 H ILE A 148 -0.276 20.974 -3.590 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.779 18.495 -4.441 1.00 0.44 H new ATOM 0 HB ILE A 148 1.128 19.025 -3.614 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.126 18.929 -6.400 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.569 20.345 -5.637 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.541 16.865 -4.766 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.365 16.669 -3.445 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.195 16.729 -5.133 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.200 19.294 -7.183 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.784 19.203 -5.505 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.079 17.765 -6.280 1.00 0.63 H new ATOM 917 N ASP A 149 -2.417 18.222 -2.018 1.00 0.48 N ATOM 918 CA ASP A 149 -2.667 17.771 -0.620 1.00 0.53 C ATOM 919 C ASP A 149 -2.027 16.399 -0.389 1.00 0.53 C ATOM 920 O ASP A 149 -1.822 15.635 -1.311 1.00 0.63 O ATOM 921 CB ASP A 149 -4.188 17.684 -0.499 1.00 0.58 C ATOM 922 CG ASP A 149 -4.707 16.558 -1.395 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.876 16.801 -2.578 1.00 1.65 O ATOM 924 OD2 ASP A 149 -4.927 15.473 -0.883 1.00 1.84 O ATOM 0 H ASP A 149 -3.242 18.261 -2.616 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.240 18.449 0.119 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.471 17.499 0.537 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.641 18.632 -0.789 1.00 0.58 H new ATOM 929 N TYR A 150 -1.708 16.083 0.835 1.00 0.58 N ATOM 930 CA TYR A 150 -1.078 14.763 1.125 1.00 0.60 C ATOM 931 C TYR A 150 -1.949 13.623 0.585 1.00 0.59 C ATOM 932 O TYR A 150 -1.452 12.613 0.128 1.00 0.63 O ATOM 933 CB TYR A 150 -0.993 14.696 2.650 1.00 0.73 C ATOM 934 CG TYR A 150 -0.686 13.281 3.076 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.318 12.555 2.422 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.405 12.693 4.123 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.602 11.243 2.817 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.121 11.381 4.518 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.117 10.655 3.865 1.00 1.48 C ATOM 940 OH TYR A 150 0.162 9.362 4.254 1.00 1.96 O ATOM 0 H TYR A 150 -1.856 16.681 1.648 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.100 14.661 0.654 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.218 15.372 3.012 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -1.934 15.024 3.092 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.873 13.008 1.613 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.180 13.252 4.626 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.376 10.683 2.313 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.676 10.928 5.326 1.00 1.56 H new ATOM 0 HH TYR A 150 -0.427 9.109 4.995 1.00 1.96 H new ATOM 950 N ASP A 151 -3.244 13.776 0.639 1.00 0.64 N ATOM 951 CA ASP A 151 -4.145 12.698 0.135 1.00 0.70 C ATOM 952 C ASP A 151 -3.874 12.417 -1.347 1.00 0.63 C ATOM 953 O ASP A 151 -3.867 11.282 -1.781 1.00 0.77 O ATOM 954 CB ASP A 151 -5.560 13.248 0.324 1.00 0.79 C ATOM 955 CG ASP A 151 -6.371 12.284 1.191 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.855 11.858 2.211 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.496 11.989 0.821 1.00 1.90 O ATOM 0 H ASP A 151 -3.718 14.600 1.010 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.994 11.757 0.665 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.520 14.231 0.794 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.044 13.378 -0.644 1.00 0.79 H new ATOM 962 N GLU A 152 -3.658 13.440 -2.129 1.00 0.54 N ATOM 963 CA GLU A 152 -3.396 13.226 -3.583 1.00 0.56 C ATOM 964 C GLU A 152 -1.911 12.941 -3.826 1.00 0.52 C ATOM 965 O GLU A 152 -1.532 12.407 -4.850 1.00 0.65 O ATOM 966 CB GLU A 152 -3.804 14.538 -4.254 1.00 0.60 C ATOM 967 CG GLU A 152 -5.298 14.501 -4.582 1.00 0.77 C ATOM 968 CD GLU A 152 -5.714 15.826 -5.225 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.071 16.224 -6.182 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.668 16.419 -4.749 1.00 1.40 O ATOM 0 H GLU A 152 -3.651 14.414 -1.825 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.948 12.373 -3.977 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.586 15.379 -3.595 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.225 14.688 -5.165 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.512 13.674 -5.259 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.876 14.328 -3.674 1.00 0.77 H new ATOM 977 N PHE A 153 -1.068 13.294 -2.896 1.00 0.46 N ATOM 978 CA PHE A 153 0.393 13.047 -3.077 1.00 0.46 C ATOM 979 C PHE A 153 0.654 11.567 -3.374 1.00 0.50 C ATOM 980 O PHE A 153 1.564 11.221 -4.101 1.00 0.64 O ATOM 981 CB PHE A 153 1.026 13.442 -1.743 1.00 0.49 C ATOM 982 CG PHE A 153 2.524 13.533 -1.904 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.082 14.543 -2.696 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.354 12.608 -1.261 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.471 14.628 -2.845 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.743 12.693 -1.409 1.00 0.61 C ATOM 987 CZ PHE A 153 5.302 13.703 -2.201 1.00 0.68 C ATOM 0 H PHE A 153 -1.326 13.743 -2.017 1.00 0.46 H new ATOM 0 HA PHE A 153 0.805 13.613 -3.913 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.627 14.399 -1.408 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.776 12.707 -0.978 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.441 15.257 -3.192 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.923 11.828 -0.651 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.902 15.407 -3.457 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.384 11.979 -0.912 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.374 13.769 -2.315 1.00 0.68 H new ATOM 997 N LEU A 154 -0.133 10.692 -2.813 1.00 0.53 N ATOM 998 CA LEU A 154 0.074 9.234 -3.056 1.00 0.62 C ATOM 999 C LEU A 154 0.009 8.919 -4.553 1.00 0.65 C ATOM 1000 O LEU A 154 0.739 8.086 -5.053 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.071 8.544 -2.316 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.527 7.849 -1.067 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.373 8.816 -0.295 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.695 7.419 -0.176 1.00 1.20 C ATOM 0 H LEU A 154 -0.912 10.922 -2.196 1.00 0.53 H new ATOM 0 HA LEU A 154 1.051 8.898 -2.709 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.830 9.275 -2.037 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.554 7.817 -2.969 1.00 0.75 H new ATOM 0 HG LEU A 154 0.050 6.972 -1.361 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.761 8.320 0.595 1.00 1.65 H new ATOM 0 HD12 LEU A 154 1.204 9.125 -0.929 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.203 9.693 -0.000 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.310 6.923 0.715 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -2.271 8.297 0.117 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.337 6.730 -0.725 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.861 9.572 -5.273 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.970 9.299 -6.735 1.00 0.81 C ATOM 1018 C GLU A 155 0.347 9.634 -7.442 1.00 0.76 C ATOM 1019 O GLU A 155 0.544 9.303 -8.594 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.091 10.216 -7.227 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.813 9.555 -8.403 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.299 9.916 -8.360 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.599 11.085 -8.181 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.111 9.018 -8.507 1.00 2.57 O ATOM 0 H GLU A 155 -1.500 10.281 -4.914 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.180 8.249 -6.942 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.795 10.413 -6.419 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.680 11.178 -7.533 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.375 9.886 -9.345 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.690 8.473 -8.357 1.00 1.41 H new ATOM 1031 N PHE A 156 1.249 10.289 -6.763 1.00 0.66 N ATOM 1032 CA PHE A 156 2.549 10.644 -7.402 1.00 0.77 C ATOM 1033 C PHE A 156 3.569 9.519 -7.203 1.00 0.71 C ATOM 1034 O PHE A 156 4.374 9.239 -8.069 1.00 0.88 O ATOM 1035 CB PHE A 156 3.008 11.912 -6.683 1.00 0.84 C ATOM 1036 CG PHE A 156 4.447 12.197 -7.036 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.863 12.140 -8.371 1.00 1.09 C ATOM 1038 CD2 PHE A 156 5.364 12.520 -6.029 1.00 1.49 C ATOM 1039 CE1 PHE A 156 6.198 12.405 -8.700 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.699 12.786 -6.358 1.00 1.72 C ATOM 1041 CZ PHE A 156 7.115 12.728 -7.693 1.00 1.53 C ATOM 0 H PHE A 156 1.143 10.593 -5.795 1.00 0.66 H new ATOM 0 HA PHE A 156 2.450 10.793 -8.477 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.378 12.754 -6.970 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.904 11.789 -5.605 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.154 11.892 -9.147 1.00 1.09 H new ATOM 0 HD2 PHE A 156 5.042 12.564 -4.999 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.520 12.360 -9.730 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.407 13.036 -5.582 1.00 1.72 H new ATOM 0 HZ PHE A 156 8.145 12.933 -7.947 1.00 1.53 H new ATOM 1051 N MET A 157 3.546 8.877 -6.068 1.00 0.61 N ATOM 1052 CA MET A 157 4.520 7.777 -5.816 1.00 0.69 C ATOM 1053 C MET A 157 3.946 6.438 -6.286 1.00 0.83 C ATOM 1054 O MET A 157 4.633 5.437 -6.324 1.00 1.17 O ATOM 1055 CB MET A 157 4.726 7.769 -4.302 1.00 0.84 C ATOM 1056 CG MET A 157 4.960 9.198 -3.810 1.00 0.92 C ATOM 1057 SD MET A 157 6.338 9.933 -4.726 1.00 1.56 S ATOM 1058 CE MET A 157 7.350 10.378 -3.294 1.00 0.90 C ATOM 0 H MET A 157 2.896 9.066 -5.305 1.00 0.61 H new ATOM 0 HA MET A 157 5.456 7.926 -6.355 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.853 7.342 -3.808 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.578 7.140 -4.044 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.058 9.794 -3.949 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.179 9.195 -2.742 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.320 10.741 -3.633 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.849 11.160 -2.723 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.492 9.501 -2.662 1.00 0.90 H new ATOM 1068 N LYS A 158 2.691 6.412 -6.642 1.00 0.86 N ATOM 1069 CA LYS A 158 2.078 5.135 -7.106 1.00 1.07 C ATOM 1070 C LYS A 158 2.666 4.727 -8.459 1.00 1.36 C ATOM 1071 O LYS A 158 2.434 3.638 -8.945 1.00 1.73 O ATOM 1072 CB LYS A 158 0.585 5.439 -7.239 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.194 4.127 -7.365 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.551 3.611 -5.970 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.366 2.322 -6.094 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.719 2.672 -5.578 1.00 3.52 N ATOM 0 H LYS A 158 2.065 7.217 -6.632 1.00 0.86 H new ATOM 0 HA LYS A 158 2.267 4.311 -6.417 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.238 5.998 -6.370 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.407 6.065 -8.113 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -1.101 4.284 -7.949 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.403 3.386 -7.897 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.357 3.426 -5.396 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -1.123 4.364 -5.428 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.414 1.983 -7.129 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.919 1.515 -5.514 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.337 1.837 -5.631 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.643 2.985 -4.589 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -3.123 3.438 -6.154 1.00 3.52 H new