USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -108:sc= 0.154 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= -0.95 K(o=-0.95,f=-2.7!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 155:sc= -0.0165 (180deg=-0.394) USER MOD Single : A 120 MET CE :methyl -120:sc= -6.74! (180deg=-11.9!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 124 THR OG1 : rot 59:sc= 0.583 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 137 MET CE :methyl 178:sc= -3.82! (180deg=-3.91!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 144 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.8!) USER MOD Single : A 150 TYR OH : rot -82:sc= -1.19 USER MOD Single : A 157 MET CE :methyl 169:sc= 0 (180deg=-0.15) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.817 5.941 1.983 1.00 1.27 N ATOM 28 CA LYS A 92 7.259 4.606 1.623 1.00 1.47 C ATOM 29 C LYS A 92 5.742 4.598 1.830 1.00 1.40 C ATOM 30 O LYS A 92 4.976 4.669 0.889 1.00 1.56 O ATOM 31 CB LYS A 92 7.937 3.623 2.578 1.00 1.61 C ATOM 32 CG LYS A 92 8.904 2.735 1.792 1.00 1.94 C ATOM 33 CD LYS A 92 9.614 1.778 2.751 1.00 2.31 C ATOM 34 CE LYS A 92 10.336 0.694 1.947 1.00 2.59 C ATOM 35 NZ LYS A 92 11.386 0.169 2.864 1.00 3.20 N ATOM 0 HA LYS A 92 7.439 4.348 0.579 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.475 4.166 3.355 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.188 3.010 3.078 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.361 2.170 1.034 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.635 3.351 1.268 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.328 2.326 3.366 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.892 1.323 3.429 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.648 -0.095 1.642 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.775 1.104 1.037 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.924 -0.580 2.383 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 12.030 0.940 3.132 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 10.938 -0.221 3.718 1.00 3.20 H new ATOM 49 N SER A 93 5.303 4.517 3.056 1.00 1.38 N ATOM 50 CA SER A 93 3.837 4.510 3.325 1.00 1.40 C ATOM 51 C SER A 93 3.469 5.671 4.251 1.00 1.20 C ATOM 52 O SER A 93 4.272 6.544 4.516 1.00 1.08 O ATOM 53 CB SER A 93 3.565 3.172 4.010 1.00 1.60 C ATOM 54 OG SER A 93 2.923 2.296 3.092 1.00 2.20 O ATOM 0 H SER A 93 5.896 4.455 3.883 1.00 1.38 H new ATOM 0 HA SER A 93 3.248 4.627 2.415 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.500 2.732 4.358 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.937 3.321 4.888 1.00 1.60 H new ATOM 0 HG SER A 93 2.749 1.436 3.528 1.00 2.20 H new ATOM 60 N GLU A 94 2.263 5.689 4.747 1.00 1.26 N ATOM 61 CA GLU A 94 1.849 6.794 5.658 1.00 1.17 C ATOM 62 C GLU A 94 2.805 6.877 6.850 1.00 1.12 C ATOM 63 O GLU A 94 2.895 7.888 7.518 1.00 1.09 O ATOM 64 CB GLU A 94 0.443 6.417 6.121 1.00 1.33 C ATOM 65 CG GLU A 94 -0.444 6.173 4.899 1.00 1.28 C ATOM 66 CD GLU A 94 -1.903 6.452 5.263 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.355 5.920 6.263 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.544 7.192 4.535 1.00 2.09 O ATOM 0 H GLU A 94 1.546 4.987 4.561 1.00 1.26 H new ATOM 0 HA GLU A 94 1.868 7.767 5.167 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.480 5.522 6.742 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.024 7.214 6.735 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.134 6.818 4.077 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.334 5.144 4.556 1.00 1.28 H new ATOM 75 N GLU A 95 3.522 5.821 7.119 1.00 1.19 N ATOM 76 CA GLU A 95 4.474 5.838 8.266 1.00 1.23 C ATOM 77 C GLU A 95 5.688 6.708 7.929 1.00 1.03 C ATOM 78 O GLU A 95 6.117 7.526 8.719 1.00 1.01 O ATOM 79 CB GLU A 95 4.893 4.380 8.453 1.00 1.45 C ATOM 80 CG GLU A 95 3.911 3.683 9.397 1.00 1.90 C ATOM 81 CD GLU A 95 3.965 4.350 10.773 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.060 4.526 11.281 1.00 2.49 O ATOM 83 OE2 GLU A 95 2.911 4.674 11.294 1.00 2.66 O ATOM 0 H GLU A 95 3.490 4.947 6.594 1.00 1.19 H new ATOM 0 HA GLU A 95 4.027 6.252 9.170 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.912 3.870 7.490 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.903 4.330 8.860 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.900 3.739 8.993 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.161 2.626 9.484 1.00 1.90 H new ATOM 90 N GLU A 96 6.246 6.536 6.762 1.00 1.02 N ATOM 91 CA GLU A 96 7.432 7.353 6.375 1.00 0.94 C ATOM 92 C GLU A 96 6.992 8.590 5.587 1.00 0.79 C ATOM 93 O GLU A 96 7.527 9.667 5.757 1.00 0.82 O ATOM 94 CB GLU A 96 8.279 6.430 5.497 1.00 1.15 C ATOM 95 CG GLU A 96 9.630 6.184 6.170 1.00 1.62 C ATOM 96 CD GLU A 96 10.435 5.177 5.348 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.232 5.127 4.146 1.00 2.18 O ATOM 98 OE2 GLU A 96 11.240 4.472 5.934 1.00 2.78 O ATOM 0 H GLU A 96 5.933 5.866 6.060 1.00 1.02 H new ATOM 0 HA GLU A 96 7.986 7.712 7.243 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.761 5.484 5.340 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.426 6.879 4.515 1.00 1.15 H new ATOM 0 HG2 GLU A 96 10.180 7.121 6.257 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.481 5.807 7.182 1.00 1.62 H new ATOM 105 N LEU A 97 6.021 8.446 4.726 1.00 0.77 N ATOM 106 CA LEU A 97 5.554 9.620 3.932 1.00 0.71 C ATOM 107 C LEU A 97 5.092 10.739 4.869 1.00 0.67 C ATOM 108 O LEU A 97 5.398 11.896 4.666 1.00 0.75 O ATOM 109 CB LEU A 97 4.379 9.101 3.097 1.00 0.80 C ATOM 110 CG LEU A 97 4.870 8.035 2.113 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.812 7.815 1.030 1.00 1.40 C ATOM 112 CD2 LEU A 97 6.175 8.496 1.458 1.00 1.22 C ATOM 0 H LEU A 97 5.532 7.571 4.538 1.00 0.77 H new ATOM 0 HA LEU A 97 6.345 10.033 3.305 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.615 8.681 3.751 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.916 9.925 2.553 1.00 0.80 H new ATOM 0 HG LEU A 97 5.045 7.103 2.651 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.161 7.056 0.329 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.882 7.482 1.492 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.638 8.749 0.496 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.520 7.734 0.759 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.003 9.429 0.922 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.932 8.653 2.226 1.00 1.22 H new ATOM 124 N SER A 98 4.357 10.403 5.895 1.00 0.69 N ATOM 125 CA SER A 98 3.880 11.450 6.842 1.00 0.76 C ATOM 126 C SER A 98 5.038 12.372 7.233 1.00 0.72 C ATOM 127 O SER A 98 4.912 13.580 7.227 1.00 0.77 O ATOM 128 CB SER A 98 3.371 10.682 8.060 1.00 0.92 C ATOM 129 OG SER A 98 4.449 9.960 8.643 1.00 1.57 O ATOM 0 H SER A 98 4.067 9.451 6.117 1.00 0.69 H new ATOM 0 HA SER A 98 3.104 12.080 6.406 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.945 11.372 8.788 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.576 9.997 7.766 1.00 0.92 H new ATOM 0 HG SER A 98 4.334 9.003 8.469 1.00 1.57 H new ATOM 135 N ASP A 99 6.166 11.809 7.570 1.00 0.80 N ATOM 136 CA ASP A 99 7.333 12.651 7.959 1.00 0.86 C ATOM 137 C ASP A 99 7.902 13.359 6.727 1.00 0.81 C ATOM 138 O ASP A 99 8.781 14.192 6.829 1.00 0.91 O ATOM 139 CB ASP A 99 8.354 11.670 8.538 1.00 1.02 C ATOM 140 CG ASP A 99 8.227 11.641 10.062 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.379 12.349 10.580 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.981 10.912 10.686 1.00 1.83 O ATOM 0 H ASP A 99 6.330 10.803 7.593 1.00 0.80 H new ATOM 0 HA ASP A 99 7.066 13.427 8.676 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.188 10.673 8.130 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.363 11.968 8.252 1.00 1.02 H new ATOM 147 N LEU A 100 7.408 13.034 5.564 1.00 0.75 N ATOM 148 CA LEU A 100 7.921 13.687 4.325 1.00 0.76 C ATOM 149 C LEU A 100 7.068 14.911 3.978 1.00 0.68 C ATOM 150 O LEU A 100 7.578 15.952 3.615 1.00 0.79 O ATOM 151 CB LEU A 100 7.797 12.622 3.235 1.00 0.86 C ATOM 152 CG LEU A 100 9.188 12.257 2.714 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.111 10.951 1.922 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.699 13.376 1.804 1.00 1.41 C ATOM 0 H LEU A 100 6.671 12.344 5.417 1.00 0.75 H new ATOM 0 HA LEU A 100 8.947 14.037 4.439 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.303 11.736 3.633 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.178 12.993 2.419 1.00 0.86 H new ATOM 0 HG LEU A 100 9.870 12.131 3.555 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.103 10.691 1.551 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.746 10.154 2.569 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.430 11.076 1.080 1.00 1.41 H new ATOM 0 HD21 LEU A 100 10.690 13.118 1.432 1.00 1.41 H new ATOM 0 HD22 LEU A 100 9.017 13.501 0.963 1.00 1.41 H new ATOM 0 HD23 LEU A 100 9.754 14.307 2.368 1.00 1.41 H new ATOM 166 N PHE A 101 5.772 14.794 4.083 1.00 0.60 N ATOM 167 CA PHE A 101 4.889 15.951 3.755 1.00 0.59 C ATOM 168 C PHE A 101 5.242 17.156 4.632 1.00 0.60 C ATOM 169 O PHE A 101 5.409 18.258 4.148 1.00 0.72 O ATOM 170 CB PHE A 101 3.469 15.468 4.053 1.00 0.61 C ATOM 171 CG PHE A 101 2.489 16.219 3.183 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.932 17.422 3.633 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.139 15.714 1.925 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.024 18.119 2.826 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.232 16.411 1.118 1.00 0.90 C ATOM 176 CZ PHE A 101 0.674 17.613 1.569 1.00 0.69 C ATOM 0 H PHE A 101 5.286 13.948 4.381 1.00 0.60 H new ATOM 0 HA PHE A 101 5.001 16.271 2.719 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.391 14.397 3.866 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.233 15.626 5.105 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.203 17.813 4.603 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.569 14.786 1.577 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.594 19.047 3.174 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.963 16.021 0.147 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.027 18.150 0.947 1.00 0.69 H new ATOM 186 N ARG A 102 5.358 16.958 5.917 1.00 0.67 N ATOM 187 CA ARG A 102 5.701 18.099 6.815 1.00 0.76 C ATOM 188 C ARG A 102 7.025 18.730 6.377 1.00 0.68 C ATOM 189 O ARG A 102 7.297 19.882 6.652 1.00 0.78 O ATOM 190 CB ARG A 102 5.831 17.486 8.210 1.00 0.99 C ATOM 191 CG ARG A 102 6.863 16.357 8.181 1.00 1.30 C ATOM 192 CD ARG A 102 7.511 16.222 9.562 1.00 1.45 C ATOM 193 NE ARG A 102 6.483 15.554 10.407 1.00 2.12 N ATOM 194 CZ ARG A 102 6.645 15.478 11.702 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.707 15.991 12.262 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.742 14.891 12.438 1.00 3.37 N ATOM 0 H ARG A 102 5.231 16.060 6.383 1.00 0.67 H new ATOM 0 HA ARG A 102 4.948 18.887 6.790 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.133 18.250 8.927 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.866 17.102 8.541 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.384 15.419 7.899 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.624 16.565 7.429 1.00 1.30 H new ATOM 0 HD2 ARG A 102 8.426 15.631 9.513 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.782 17.197 9.967 1.00 1.45 H new ATOM 0 HE ARG A 102 5.650 15.155 9.974 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.413 16.453 11.689 1.00 3.07 H new ATOM 0 HH12 ARG A 102 7.830 15.930 13.273 1.00 3.07 H new ATOM 0 HH21 ARG A 102 4.910 14.492 12.003 1.00 3.37 H new ATOM 0 HH22 ARG A 102 5.868 14.831 13.448 1.00 3.37 H new ATOM 210 N MET A 103 7.849 17.984 5.693 1.00 0.71 N ATOM 211 CA MET A 103 9.154 18.540 5.233 1.00 0.75 C ATOM 212 C MET A 103 9.022 19.067 3.802 1.00 0.68 C ATOM 213 O MET A 103 9.576 20.091 3.453 1.00 0.83 O ATOM 214 CB MET A 103 10.127 17.360 5.287 1.00 0.93 C ATOM 215 CG MET A 103 11.456 17.756 4.637 1.00 1.27 C ATOM 216 SD MET A 103 12.650 18.199 5.924 1.00 1.82 S ATOM 217 CE MET A 103 13.804 19.103 4.863 1.00 2.43 C ATOM 0 H MET A 103 7.675 17.013 5.433 1.00 0.71 H new ATOM 0 HA MET A 103 9.493 19.373 5.849 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.292 17.060 6.322 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.700 16.500 4.770 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.840 16.930 4.038 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.306 18.597 3.960 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.636 19.473 5.462 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.183 18.437 4.088 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.289 19.944 4.399 1.00 2.43 H new ATOM 227 N PHE A 104 8.290 18.375 2.972 1.00 0.68 N ATOM 228 CA PHE A 104 8.119 18.835 1.564 1.00 0.79 C ATOM 229 C PHE A 104 7.557 20.259 1.537 1.00 0.71 C ATOM 230 O PHE A 104 8.165 21.168 1.006 1.00 0.88 O ATOM 231 CB PHE A 104 7.119 17.854 0.947 1.00 0.94 C ATOM 232 CG PHE A 104 7.327 17.772 -0.551 1.00 1.31 C ATOM 233 CD1 PHE A 104 8.103 18.733 -1.214 1.00 2.03 C ATOM 234 CD2 PHE A 104 6.738 16.729 -1.278 1.00 1.26 C ATOM 235 CE1 PHE A 104 8.289 18.651 -2.599 1.00 2.65 C ATOM 236 CE2 PHE A 104 6.925 16.648 -2.664 1.00 1.86 C ATOM 237 CZ PHE A 104 7.700 17.608 -3.324 1.00 2.56 C ATOM 0 H PHE A 104 7.803 17.511 3.208 1.00 0.68 H new ATOM 0 HA PHE A 104 9.062 18.855 1.019 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.243 16.867 1.394 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.101 18.176 1.163 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.558 19.538 -0.655 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.140 15.987 -0.770 1.00 1.26 H new ATOM 0 HE1 PHE A 104 8.887 19.392 -3.108 1.00 2.65 H new ATOM 0 HE2 PHE A 104 6.471 15.844 -3.224 1.00 1.86 H new ATOM 0 HZ PHE A 104 7.844 17.544 -4.392 1.00 2.56 H new ATOM 247 N ASP A 105 6.398 20.459 2.104 1.00 0.61 N ATOM 248 CA ASP A 105 5.795 21.822 2.109 1.00 0.60 C ATOM 249 C ASP A 105 6.651 22.778 2.944 1.00 0.56 C ATOM 250 O ASP A 105 6.305 23.127 4.055 1.00 0.63 O ATOM 251 CB ASP A 105 4.416 21.643 2.744 1.00 0.68 C ATOM 252 CG ASP A 105 3.578 22.900 2.505 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.903 23.639 1.590 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.627 23.102 3.241 1.00 1.45 O ATOM 0 H ASP A 105 5.843 19.737 2.564 1.00 0.61 H new ATOM 0 HA ASP A 105 5.731 22.248 1.108 1.00 0.60 H new ATOM 0 HB2 ASP A 105 3.917 20.773 2.316 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.517 21.458 3.813 1.00 0.68 H new ATOM 259 N LYS A 106 7.763 23.206 2.416 1.00 0.59 N ATOM 260 CA LYS A 106 8.638 24.142 3.178 1.00 0.66 C ATOM 261 C LYS A 106 7.939 25.494 3.343 1.00 0.55 C ATOM 262 O LYS A 106 8.346 26.324 4.131 1.00 0.63 O ATOM 263 CB LYS A 106 9.897 24.288 2.324 1.00 0.87 C ATOM 264 CG LYS A 106 11.134 24.206 3.218 1.00 1.21 C ATOM 265 CD LYS A 106 12.390 24.408 2.369 1.00 1.61 C ATOM 266 CE LYS A 106 13.133 25.659 2.843 1.00 1.77 C ATOM 267 NZ LYS A 106 14.496 25.181 3.209 1.00 2.14 N ATOM 0 H LYS A 106 8.105 22.949 1.490 1.00 0.59 H new ATOM 0 HA LYS A 106 8.867 23.777 4.179 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.929 23.503 1.568 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.881 25.240 1.794 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.083 24.966 3.998 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.171 23.238 3.718 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.039 23.536 2.448 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.119 24.510 1.318 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.177 26.414 2.058 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.632 26.116 3.697 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.067 25.983 3.544 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.423 24.469 3.963 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.951 24.757 2.375 1.00 2.14 H new ATOM 281 N ASN A 107 6.887 25.718 2.603 1.00 0.48 N ATOM 282 CA ASN A 107 6.158 27.013 2.714 1.00 0.50 C ATOM 283 C ASN A 107 5.404 27.081 4.045 1.00 0.58 C ATOM 284 O ASN A 107 4.885 28.112 4.424 1.00 0.70 O ATOM 285 CB ASN A 107 5.178 27.016 1.540 1.00 0.54 C ATOM 286 CG ASN A 107 4.495 28.381 1.448 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.643 29.209 2.325 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.747 28.654 0.414 1.00 0.78 N ATOM 0 H ASN A 107 6.501 25.060 1.926 1.00 0.48 H new ATOM 0 HA ASN A 107 6.830 27.871 2.686 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.706 26.799 0.612 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.432 26.233 1.673 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.287 29.562 0.343 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.622 27.960 -0.323 1.00 0.78 H new ATOM 295 N ALA A 108 5.341 25.989 4.758 1.00 0.65 N ATOM 296 CA ALA A 108 4.622 25.991 6.065 1.00 0.84 C ATOM 297 C ALA A 108 3.130 26.264 5.851 1.00 0.78 C ATOM 298 O ALA A 108 2.703 27.397 5.756 1.00 0.96 O ATOM 299 CB ALA A 108 5.265 27.123 6.868 1.00 1.03 C ATOM 0 H ALA A 108 5.756 25.096 4.492 1.00 0.65 H new ATOM 0 HA ALA A 108 4.697 25.032 6.578 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.790 27.190 7.847 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.329 26.921 6.994 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.135 28.066 6.336 1.00 1.03 H new ATOM 305 N ASP A 109 2.334 25.232 5.776 1.00 0.73 N ATOM 306 CA ASP A 109 0.870 25.431 5.570 1.00 0.74 C ATOM 307 C ASP A 109 0.156 24.078 5.497 1.00 0.78 C ATOM 308 O ASP A 109 -0.991 23.950 5.878 1.00 0.96 O ATOM 309 CB ASP A 109 0.753 26.172 4.237 1.00 0.72 C ATOM 310 CG ASP A 109 1.598 25.459 3.179 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.809 25.449 3.325 1.00 1.95 O ATOM 312 OD2 ASP A 109 1.019 24.934 2.242 1.00 1.66 O ATOM 0 H ASP A 109 2.634 24.260 5.848 1.00 0.73 H new ATOM 0 HA ASP A 109 0.411 25.988 6.387 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.289 26.209 3.920 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.089 27.203 4.351 1.00 0.72 H new ATOM 317 N GLY A 110 0.824 23.067 5.012 1.00 0.76 N ATOM 318 CA GLY A 110 0.181 21.726 4.917 1.00 0.85 C ATOM 319 C GLY A 110 -0.204 21.443 3.464 1.00 0.70 C ATOM 320 O GLY A 110 -0.983 20.554 3.181 1.00 0.73 O ATOM 0 H GLY A 110 1.787 23.112 4.678 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.864 20.958 5.279 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.704 21.690 5.552 1.00 0.85 H new ATOM 324 N TYR A 111 0.333 22.191 2.541 1.00 0.68 N ATOM 325 CA TYR A 111 -0.004 21.963 1.106 1.00 0.60 C ATOM 326 C TYR A 111 1.199 22.297 0.221 1.00 0.58 C ATOM 327 O TYR A 111 1.741 23.384 0.278 1.00 0.83 O ATOM 328 CB TYR A 111 -1.164 22.916 0.815 1.00 0.68 C ATOM 329 CG TYR A 111 -2.338 22.568 1.700 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.176 21.497 1.364 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.588 23.317 2.856 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.264 21.176 2.185 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.676 22.995 3.676 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.514 21.925 3.341 1.00 0.80 C ATOM 335 OH TYR A 111 -5.586 21.608 4.150 1.00 0.90 O ATOM 0 H TYR A 111 0.991 22.951 2.717 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.269 20.925 0.904 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.855 23.946 0.992 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.452 22.845 -0.234 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.983 20.919 0.472 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -1.942 24.143 3.115 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.910 20.350 1.926 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -3.869 23.573 4.568 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.616 22.225 4.911 1.00 0.90 H new ATOM 345 N ILE A 112 1.621 21.373 -0.597 1.00 0.50 N ATOM 346 CA ILE A 112 2.788 21.640 -1.486 1.00 0.50 C ATOM 347 C ILE A 112 2.339 22.414 -2.729 1.00 0.49 C ATOM 348 O ILE A 112 1.357 22.077 -3.360 1.00 0.66 O ATOM 349 CB ILE A 112 3.314 20.258 -1.875 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.715 19.493 -0.611 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.534 20.414 -2.783 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.315 18.141 -1.002 1.00 0.66 C ATOM 0 H ILE A 112 1.209 20.445 -0.689 1.00 0.50 H new ATOM 0 HA ILE A 112 3.552 22.243 -0.995 1.00 0.50 H new ATOM 0 HB ILE A 112 2.536 19.708 -2.404 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.439 20.072 -0.037 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.845 19.345 0.029 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.909 19.429 -3.061 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.251 20.961 -3.682 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.313 20.963 -2.254 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.601 17.596 -0.102 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.577 17.563 -1.558 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.195 18.300 -1.625 1.00 0.66 H new ATOM 364 N ASP A 113 3.049 23.451 -3.084 1.00 0.47 N ATOM 365 CA ASP A 113 2.658 24.245 -4.285 1.00 0.50 C ATOM 366 C ASP A 113 3.489 23.822 -5.499 1.00 0.50 C ATOM 367 O ASP A 113 4.219 22.852 -5.457 1.00 0.57 O ATOM 368 CB ASP A 113 2.953 25.698 -3.914 1.00 0.60 C ATOM 369 CG ASP A 113 2.022 26.625 -4.697 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.388 26.149 -5.625 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.957 27.794 -4.356 1.00 1.85 O ATOM 0 H ASP A 113 3.881 23.782 -2.596 1.00 0.47 H new ATOM 0 HA ASP A 113 1.612 24.096 -4.552 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.814 25.846 -2.843 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.993 25.937 -4.137 1.00 0.60 H new ATOM 376 N LEU A 114 3.384 24.545 -6.581 1.00 0.52 N ATOM 377 CA LEU A 114 4.166 24.186 -7.799 1.00 0.57 C ATOM 378 C LEU A 114 5.643 24.538 -7.604 1.00 0.63 C ATOM 379 O LEU A 114 6.520 23.908 -8.162 1.00 0.80 O ATOM 380 CB LEU A 114 3.557 25.025 -8.922 1.00 0.62 C ATOM 381 CG LEU A 114 2.471 24.217 -9.633 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.515 25.168 -10.355 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.120 23.278 -10.652 1.00 0.81 C ATOM 0 H LEU A 114 2.790 25.369 -6.674 1.00 0.52 H new ATOM 0 HA LEU A 114 4.122 23.119 -8.018 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.134 25.943 -8.515 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.331 25.318 -9.632 1.00 0.62 H new ATOM 0 HG LEU A 114 1.916 23.632 -8.900 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.741 24.591 -10.861 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.052 25.838 -9.630 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.069 25.754 -11.088 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.347 22.701 -11.160 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.675 23.864 -11.384 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.801 22.599 -10.139 1.00 0.81 H new ATOM 395 N ASP A 115 5.927 25.540 -6.818 1.00 0.61 N ATOM 396 CA ASP A 115 7.348 25.929 -6.591 1.00 0.71 C ATOM 397 C ASP A 115 7.949 25.100 -5.452 1.00 0.65 C ATOM 398 O ASP A 115 9.029 24.557 -5.569 1.00 0.89 O ATOM 399 CB ASP A 115 7.300 27.409 -6.211 1.00 0.80 C ATOM 400 CG ASP A 115 7.744 28.257 -7.404 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.117 28.154 -8.445 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.704 28.996 -7.255 1.00 1.76 O ATOM 0 H ASP A 115 5.237 26.106 -6.323 1.00 0.61 H new ATOM 0 HA ASP A 115 7.968 25.755 -7.470 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.289 27.686 -5.911 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.949 27.597 -5.356 1.00 0.80 H new ATOM 407 N GLU A 116 7.257 24.997 -4.349 1.00 0.51 N ATOM 408 CA GLU A 116 7.794 24.202 -3.207 1.00 0.48 C ATOM 409 C GLU A 116 8.257 22.827 -3.694 1.00 0.49 C ATOM 410 O GLU A 116 9.067 22.175 -3.065 1.00 0.63 O ATOM 411 CB GLU A 116 6.622 24.062 -2.235 1.00 0.48 C ATOM 412 CG GLU A 116 6.233 25.442 -1.703 1.00 0.57 C ATOM 413 CD GLU A 116 4.787 25.409 -1.204 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.377 24.375 -0.703 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.115 26.419 -1.332 1.00 1.19 O ATOM 0 H GLU A 116 6.346 25.427 -4.190 1.00 0.51 H new ATOM 0 HA GLU A 116 8.655 24.679 -2.739 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.772 23.601 -2.738 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.897 23.406 -1.409 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.902 25.733 -0.893 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.341 26.190 -2.489 1.00 0.57 H new ATOM 422 N LEU A 117 7.751 22.381 -4.811 1.00 0.48 N ATOM 423 CA LEU A 117 8.164 21.048 -5.338 1.00 0.52 C ATOM 424 C LEU A 117 9.562 21.136 -5.958 1.00 0.58 C ATOM 425 O LEU A 117 10.243 20.144 -6.121 1.00 0.69 O ATOM 426 CB LEU A 117 7.126 20.706 -6.408 1.00 0.55 C ATOM 427 CG LEU A 117 5.778 20.421 -5.745 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.652 20.673 -6.751 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.734 18.961 -5.289 1.00 0.53 C ATOM 0 H LEU A 117 7.070 22.881 -5.382 1.00 0.48 H new ATOM 0 HA LEU A 117 8.209 20.290 -4.556 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.029 21.533 -7.112 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.452 19.837 -6.980 1.00 0.55 H new ATOM 0 HG LEU A 117 5.651 21.076 -4.883 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.691 20.470 -6.279 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.683 21.712 -7.079 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.780 20.017 -7.612 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.774 18.756 -4.816 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.861 18.307 -6.151 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.536 18.779 -4.574 1.00 0.53 H new ATOM 441 N LYS A 118 9.990 22.318 -6.308 1.00 0.59 N ATOM 442 CA LYS A 118 11.337 22.476 -6.923 1.00 0.69 C ATOM 443 C LYS A 118 12.423 22.466 -5.839 1.00 0.64 C ATOM 444 O LYS A 118 13.599 22.366 -6.130 1.00 0.73 O ATOM 445 CB LYS A 118 11.274 23.834 -7.630 1.00 0.83 C ATOM 446 CG LYS A 118 12.683 24.411 -7.784 1.00 0.99 C ATOM 447 CD LYS A 118 13.024 25.257 -6.555 1.00 1.35 C ATOM 448 CE LYS A 118 13.233 26.713 -6.976 1.00 1.51 C ATOM 449 NZ LYS A 118 11.893 27.179 -7.427 1.00 1.99 N ATOM 0 H LYS A 118 9.463 23.184 -6.194 1.00 0.59 H new ATOM 0 HA LYS A 118 11.586 21.668 -7.611 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.809 23.722 -8.610 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.651 24.522 -7.058 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.408 23.605 -7.896 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.742 25.020 -8.686 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.220 25.192 -5.822 1.00 1.35 H new ATOM 0 HD3 LYS A 118 13.925 24.874 -6.076 1.00 1.35 H new ATOM 0 HE2 LYS A 118 13.601 27.315 -6.145 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.968 26.791 -7.777 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.833 28.213 -7.328 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.752 26.918 -8.424 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.156 26.732 -6.845 1.00 1.99 H new ATOM 463 N ILE A 119 12.043 22.574 -4.596 1.00 0.68 N ATOM 464 CA ILE A 119 13.063 22.576 -3.507 1.00 0.74 C ATOM 465 C ILE A 119 13.296 21.155 -2.988 1.00 0.75 C ATOM 466 O ILE A 119 14.410 20.671 -2.958 1.00 0.85 O ATOM 467 CB ILE A 119 12.469 23.458 -2.411 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.466 24.914 -2.878 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.315 23.333 -1.142 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.490 25.723 -2.022 1.00 1.06 C ATOM 0 H ILE A 119 11.075 22.661 -4.287 1.00 0.68 H new ATOM 0 HA ILE A 119 14.029 22.946 -3.850 1.00 0.74 H new ATOM 0 HB ILE A 119 11.448 23.140 -2.200 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.469 25.334 -2.800 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.178 24.970 -3.928 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.892 23.962 -0.359 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.321 22.295 -0.810 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.336 23.653 -1.352 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.488 26.761 -2.355 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.487 25.308 -2.123 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.798 25.678 -0.977 1.00 1.06 H new ATOM 482 N MET A 120 12.258 20.481 -2.577 1.00 0.85 N ATOM 483 CA MET A 120 12.434 19.094 -2.062 1.00 1.01 C ATOM 484 C MET A 120 13.232 18.261 -3.066 1.00 0.95 C ATOM 485 O MET A 120 13.982 17.378 -2.700 1.00 1.11 O ATOM 486 CB MET A 120 11.017 18.541 -1.913 1.00 1.17 C ATOM 487 CG MET A 120 11.054 17.266 -1.069 1.00 1.52 C ATOM 488 SD MET A 120 10.893 15.822 -2.149 1.00 1.88 S ATOM 489 CE MET A 120 9.383 15.153 -1.409 1.00 1.43 C ATOM 0 H MET A 120 11.299 20.829 -2.575 1.00 0.85 H new ATOM 0 HA MET A 120 12.980 19.069 -1.119 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.373 19.283 -1.442 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.593 18.328 -2.894 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.989 17.214 -0.511 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.246 17.278 -0.337 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.578 14.150 -1.028 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.063 15.797 -0.590 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.597 15.108 -2.163 1.00 1.43 H new ATOM 499 N LEU A 121 13.077 18.538 -4.331 1.00 0.87 N ATOM 500 CA LEU A 121 13.827 17.765 -5.361 1.00 0.95 C ATOM 501 C LEU A 121 15.250 18.314 -5.497 1.00 0.87 C ATOM 502 O LEU A 121 16.157 17.617 -5.908 1.00 0.97 O ATOM 503 CB LEU A 121 13.042 17.970 -6.656 1.00 1.09 C ATOM 504 CG LEU A 121 12.011 16.850 -6.807 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.042 16.883 -5.624 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.231 17.048 -8.108 1.00 1.80 C ATOM 0 H LEU A 121 12.463 19.266 -4.696 1.00 0.87 H new ATOM 0 HA LEU A 121 13.918 16.709 -5.105 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.543 18.939 -6.643 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.720 17.972 -7.509 1.00 1.09 H new ATOM 0 HG LEU A 121 12.522 15.888 -6.831 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.308 16.085 -5.733 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.596 16.743 -4.696 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.531 17.845 -5.599 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.496 16.250 -8.217 1.00 1.80 H new ATOM 0 HD22 LEU A 121 10.721 18.011 -8.083 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.920 17.024 -8.952 1.00 1.80 H new ATOM 518 N GLN A 122 15.453 19.556 -5.151 1.00 0.82 N ATOM 519 CA GLN A 122 16.818 20.146 -5.256 1.00 0.95 C ATOM 520 C GLN A 122 17.830 19.253 -4.534 1.00 1.04 C ATOM 521 O GLN A 122 18.991 19.201 -4.887 1.00 1.19 O ATOM 522 CB GLN A 122 16.715 21.508 -4.568 1.00 1.14 C ATOM 523 CG GLN A 122 17.159 22.606 -5.537 1.00 1.42 C ATOM 524 CD GLN A 122 18.213 23.486 -4.862 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.968 24.056 -3.818 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.386 23.621 -5.418 1.00 2.28 N ATOM 0 H GLN A 122 14.733 20.188 -4.800 1.00 0.82 H new ATOM 0 HA GLN A 122 17.153 20.238 -6.289 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.690 21.687 -4.245 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.339 21.524 -3.674 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.568 22.162 -6.444 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.302 23.210 -5.836 1.00 1.42 H new ATOM 0 HE21 GLN A 122 19.593 23.143 -6.295 1.00 2.28 H new ATOM 0 HE22 GLN A 122 20.096 24.205 -4.976 1.00 2.28 H new ATOM 535 N ALA A 123 17.396 18.545 -3.527 1.00 1.09 N ATOM 536 CA ALA A 123 18.331 17.652 -2.786 1.00 1.33 C ATOM 537 C ALA A 123 18.900 16.591 -3.730 1.00 1.38 C ATOM 538 O ALA A 123 19.915 15.981 -3.457 1.00 1.62 O ATOM 539 CB ALA A 123 17.477 17.000 -1.698 1.00 1.45 C ATOM 0 H ALA A 123 16.435 18.546 -3.186 1.00 1.09 H new ATOM 0 HA ALA A 123 19.179 18.194 -2.367 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.095 16.325 -1.106 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.061 17.772 -1.051 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.666 16.438 -2.160 1.00 1.45 H new ATOM 545 N THR A 124 18.253 16.368 -4.841 1.00 1.29 N ATOM 546 CA THR A 124 18.754 15.348 -5.806 1.00 1.47 C ATOM 547 C THR A 124 19.304 16.037 -7.057 1.00 1.44 C ATOM 548 O THR A 124 19.312 15.475 -8.134 1.00 1.72 O ATOM 549 CB THR A 124 17.530 14.500 -6.155 1.00 1.56 C ATOM 550 OG1 THR A 124 16.352 15.270 -5.960 1.00 2.16 O ATOM 551 CG2 THR A 124 17.488 13.264 -5.256 1.00 1.92 C ATOM 0 H THR A 124 17.398 16.848 -5.123 1.00 1.29 H new ATOM 0 HA THR A 124 19.562 14.745 -5.392 1.00 1.47 H new ATOM 0 HB THR A 124 17.591 14.185 -7.197 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.389 16.073 -6.521 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.615 12.661 -5.507 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.392 12.674 -5.407 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.427 13.575 -4.213 1.00 1.92 H new ATOM 559 N GLY A 125 19.762 17.252 -6.924 1.00 1.26 N ATOM 560 CA GLY A 125 20.305 17.975 -8.107 1.00 1.32 C ATOM 561 C GLY A 125 19.221 18.073 -9.181 1.00 1.26 C ATOM 562 O GLY A 125 19.504 18.092 -10.362 1.00 1.63 O ATOM 0 H GLY A 125 19.783 17.774 -6.048 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.637 18.972 -7.817 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.176 17.450 -8.500 1.00 1.32 H new ATOM 566 N GLU A 126 17.980 18.134 -8.780 1.00 1.02 N ATOM 567 CA GLU A 126 16.878 18.230 -9.780 1.00 1.08 C ATOM 568 C GLU A 126 17.201 19.304 -10.820 1.00 0.89 C ATOM 569 O GLU A 126 16.889 20.466 -10.646 1.00 0.87 O ATOM 570 CB GLU A 126 15.635 18.616 -8.973 1.00 1.34 C ATOM 571 CG GLU A 126 15.830 20.002 -8.354 1.00 1.45 C ATOM 572 CD GLU A 126 14.937 21.019 -9.069 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.164 20.608 -9.918 1.00 2.09 O ATOM 574 OE2 GLU A 126 15.041 22.193 -8.754 1.00 2.16 O ATOM 0 H GLU A 126 17.682 18.122 -7.805 1.00 1.02 H new ATOM 0 HA GLU A 126 16.733 17.296 -10.323 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.757 18.616 -9.618 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.455 17.880 -8.190 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.586 19.974 -7.292 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.875 20.302 -8.434 1.00 1.45 H new ATOM 581 N THR A 127 17.819 18.926 -11.904 1.00 1.09 N ATOM 582 CA THR A 127 18.152 19.931 -12.954 1.00 1.21 C ATOM 583 C THR A 127 17.286 19.698 -14.193 1.00 1.29 C ATOM 584 O THR A 127 17.618 18.914 -15.060 1.00 1.60 O ATOM 585 CB THR A 127 19.630 19.700 -13.279 1.00 1.57 C ATOM 586 OG1 THR A 127 19.952 20.358 -14.496 1.00 1.91 O ATOM 587 CG2 THR A 127 19.899 18.200 -13.422 1.00 2.18 C ATOM 0 H THR A 127 18.107 17.969 -12.109 1.00 1.09 H new ATOM 0 HA THR A 127 17.968 20.953 -12.621 1.00 1.21 H new ATOM 0 HB THR A 127 20.245 20.100 -12.473 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.898 20.213 -14.706 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.952 18.040 -13.653 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.652 17.695 -12.488 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.285 17.795 -14.227 1.00 2.18 H new ATOM 595 N ILE A 128 16.177 20.378 -14.282 1.00 1.08 N ATOM 596 CA ILE A 128 15.286 20.202 -15.463 1.00 1.20 C ATOM 597 C ILE A 128 14.773 21.563 -15.940 1.00 1.18 C ATOM 598 O ILE A 128 14.816 22.539 -15.218 1.00 1.15 O ATOM 599 CB ILE A 128 14.132 19.335 -14.960 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.301 20.129 -13.948 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.695 18.082 -14.287 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.353 19.184 -13.205 1.00 2.03 C ATOM 0 H ILE A 128 15.849 21.049 -13.587 1.00 1.08 H new ATOM 0 HA ILE A 128 15.799 19.743 -16.308 1.00 1.20 H new ATOM 0 HB ILE A 128 13.500 19.045 -15.800 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.958 20.633 -13.239 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.730 20.904 -14.460 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.874 17.462 -13.927 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.288 17.517 -15.007 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.325 18.372 -13.447 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.763 19.752 -12.486 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.687 18.701 -13.920 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.933 18.425 -12.680 1.00 2.03 H new ATOM 614 N THR A 129 14.282 21.636 -17.146 1.00 1.34 N ATOM 615 CA THR A 129 13.764 22.937 -17.656 1.00 1.42 C ATOM 616 C THR A 129 12.588 23.402 -16.793 1.00 1.16 C ATOM 617 O THR A 129 11.926 22.611 -16.151 1.00 0.97 O ATOM 618 CB THR A 129 13.303 22.650 -19.085 1.00 1.64 C ATOM 619 OG1 THR A 129 13.942 21.472 -19.559 1.00 2.23 O ATOM 620 CG2 THR A 129 13.670 23.830 -19.986 1.00 2.28 C ATOM 0 H THR A 129 14.217 20.855 -17.798 1.00 1.34 H new ATOM 0 HA THR A 129 14.516 23.725 -17.626 1.00 1.42 H new ATOM 0 HB THR A 129 12.222 22.508 -19.098 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.646 21.285 -20.475 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.341 23.626 -21.005 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.180 24.733 -19.621 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.750 23.974 -19.975 1.00 2.28 H new ATOM 628 N GLU A 130 12.324 24.679 -16.769 1.00 1.31 N ATOM 629 CA GLU A 130 11.193 25.190 -15.942 1.00 1.28 C ATOM 630 C GLU A 130 9.872 24.554 -16.389 1.00 1.16 C ATOM 631 O GLU A 130 9.054 24.166 -15.579 1.00 1.21 O ATOM 632 CB GLU A 130 11.173 26.700 -16.189 1.00 1.69 C ATOM 633 CG GLU A 130 9.830 27.277 -15.737 1.00 2.05 C ATOM 634 CD GLU A 130 9.929 28.801 -15.651 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.985 29.325 -15.966 1.00 2.70 O ATOM 636 OE2 GLU A 130 8.948 29.419 -15.272 1.00 3.03 O ATOM 0 H GLU A 130 12.841 25.391 -17.285 1.00 1.31 H new ATOM 0 HA GLU A 130 11.315 24.950 -14.886 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.987 27.178 -15.645 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.332 26.908 -17.247 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.046 26.992 -16.439 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.554 26.865 -14.766 1.00 2.05 H new ATOM 643 N ASP A 131 9.656 24.449 -17.672 1.00 1.18 N ATOM 644 CA ASP A 131 8.384 23.844 -18.167 1.00 1.19 C ATOM 645 C ASP A 131 8.254 22.396 -17.684 1.00 1.07 C ATOM 646 O ASP A 131 7.181 21.827 -17.690 1.00 1.14 O ATOM 647 CB ASP A 131 8.490 23.894 -19.691 1.00 1.44 C ATOM 648 CG ASP A 131 7.089 23.994 -20.298 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.594 25.103 -20.416 1.00 1.91 O ATOM 650 OD2 ASP A 131 6.535 22.961 -20.635 1.00 2.07 O ATOM 0 H ASP A 131 10.303 24.755 -18.399 1.00 1.18 H new ATOM 0 HA ASP A 131 7.507 24.376 -17.800 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.092 24.750 -19.996 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.995 23.001 -20.060 1.00 1.44 H new ATOM 655 N ASP A 132 9.335 21.794 -17.267 1.00 1.00 N ATOM 656 CA ASP A 132 9.260 20.383 -16.788 1.00 1.03 C ATOM 657 C ASP A 132 8.822 20.341 -15.321 1.00 0.88 C ATOM 658 O ASP A 132 8.464 19.304 -14.800 1.00 1.03 O ATOM 659 CB ASP A 132 10.678 19.833 -16.939 1.00 1.13 C ATOM 660 CG ASP A 132 10.617 18.429 -17.543 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.038 17.560 -16.913 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.148 18.248 -18.627 1.00 1.99 O ATOM 0 H ASP A 132 10.263 22.216 -17.237 1.00 1.00 H new ATOM 0 HA ASP A 132 8.534 19.797 -17.352 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.269 20.490 -17.577 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.173 19.802 -15.968 1.00 1.13 H new ATOM 667 N ILE A 133 8.849 21.460 -14.651 1.00 0.75 N ATOM 668 CA ILE A 133 8.433 21.481 -13.219 1.00 0.77 C ATOM 669 C ILE A 133 6.947 21.135 -13.092 1.00 0.70 C ATOM 670 O ILE A 133 6.487 20.705 -12.053 1.00 0.82 O ATOM 671 CB ILE A 133 8.689 22.913 -12.752 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.175 23.244 -12.908 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.288 23.049 -11.283 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.998 22.356 -11.973 1.00 1.00 C ATOM 0 H ILE A 133 9.141 22.360 -15.032 1.00 0.75 H new ATOM 0 HA ILE A 133 8.981 20.752 -12.622 1.00 0.77 H new ATOM 0 HB ILE A 133 8.099 23.602 -13.356 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.486 23.089 -13.941 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.350 24.295 -12.677 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.470 24.070 -10.949 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.229 22.814 -11.172 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.878 22.359 -10.679 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.056 22.592 -12.085 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.694 22.533 -10.941 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.831 21.309 -12.226 1.00 1.00 H new ATOM 686 N GLU A 134 6.192 21.325 -14.140 1.00 0.61 N ATOM 687 CA GLU A 134 4.733 21.012 -14.075 1.00 0.64 C ATOM 688 C GLU A 134 4.489 19.539 -14.417 1.00 0.64 C ATOM 689 O GLU A 134 3.460 18.980 -14.091 1.00 0.76 O ATOM 690 CB GLU A 134 4.085 21.917 -15.126 1.00 0.73 C ATOM 691 CG GLU A 134 4.692 23.320 -15.045 1.00 0.89 C ATOM 692 CD GLU A 134 3.611 24.363 -15.334 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.525 23.968 -15.726 1.00 1.86 O ATOM 694 OE2 GLU A 134 3.887 25.538 -15.160 1.00 1.87 O ATOM 0 H GLU A 134 6.520 21.683 -15.037 1.00 0.61 H new ATOM 0 HA GLU A 134 4.321 21.180 -13.080 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.238 21.501 -16.122 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.008 21.966 -14.963 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.117 23.487 -14.055 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.507 23.417 -15.763 1.00 0.89 H new ATOM 701 N GLU A 135 5.423 18.910 -15.074 1.00 0.59 N ATOM 702 CA GLU A 135 5.243 17.476 -15.442 1.00 0.67 C ATOM 703 C GLU A 135 4.969 16.630 -14.195 1.00 0.74 C ATOM 704 O GLU A 135 4.358 15.583 -14.268 1.00 0.91 O ATOM 705 CB GLU A 135 6.567 17.064 -16.088 1.00 0.72 C ATOM 706 CG GLU A 135 6.515 15.581 -16.458 1.00 1.16 C ATOM 707 CD GLU A 135 5.787 15.413 -17.792 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.665 16.395 -18.506 1.00 2.03 O ATOM 709 OE2 GLU A 135 5.363 14.305 -18.078 1.00 2.29 O ATOM 0 H GLU A 135 6.305 19.327 -15.373 1.00 0.59 H new ATOM 0 HA GLU A 135 4.396 17.329 -16.112 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.752 17.665 -16.978 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.392 17.249 -15.401 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.525 15.178 -16.530 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.002 15.019 -15.678 1.00 1.16 H new ATOM 716 N LEU A 136 5.418 17.071 -13.052 1.00 0.73 N ATOM 717 CA LEU A 136 5.181 16.283 -11.806 1.00 0.87 C ATOM 718 C LEU A 136 3.870 16.715 -11.142 1.00 0.81 C ATOM 719 O LEU A 136 3.194 15.926 -10.512 1.00 1.00 O ATOM 720 CB LEU A 136 6.372 16.604 -10.901 1.00 0.99 C ATOM 721 CG LEU A 136 7.657 16.077 -11.541 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.814 17.025 -11.219 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.969 14.686 -10.983 1.00 1.75 C ATOM 0 H LEU A 136 5.937 17.940 -12.925 1.00 0.73 H new ATOM 0 HA LEU A 136 5.096 15.215 -12.006 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.445 17.681 -10.747 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.229 16.151 -9.920 1.00 0.99 H new ATOM 0 HG LEU A 136 7.527 16.017 -12.622 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.730 16.649 -11.675 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.592 18.017 -11.613 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.945 17.085 -10.139 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.885 14.308 -11.438 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.100 14.748 -9.903 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.145 14.010 -11.211 1.00 1.75 H new ATOM 735 N MET A 137 3.506 17.961 -11.275 1.00 0.67 N ATOM 736 CA MET A 137 2.240 18.442 -10.648 1.00 0.71 C ATOM 737 C MET A 137 1.064 17.556 -11.068 1.00 0.68 C ATOM 738 O MET A 137 0.054 17.490 -10.395 1.00 0.70 O ATOM 739 CB MET A 137 2.052 19.865 -11.174 1.00 0.82 C ATOM 740 CG MET A 137 1.167 20.652 -10.207 1.00 0.99 C ATOM 741 SD MET A 137 2.119 21.071 -8.726 1.00 0.94 S ATOM 742 CE MET A 137 0.720 21.517 -7.668 1.00 0.53 C ATOM 0 H MET A 137 4.030 18.668 -11.791 1.00 0.67 H new ATOM 0 HA MET A 137 2.285 18.411 -9.559 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.019 20.356 -11.280 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.596 19.841 -12.164 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.802 21.560 -10.687 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.292 20.062 -9.935 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.084 21.780 -6.675 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.195 22.369 -8.099 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.037 20.671 -7.592 1.00 0.53 H new ATOM 752 N LYS A 138 1.184 16.875 -12.175 1.00 0.76 N ATOM 753 CA LYS A 138 0.069 15.997 -12.632 1.00 0.82 C ATOM 754 C LYS A 138 -0.090 14.807 -11.682 1.00 0.72 C ATOM 755 O LYS A 138 -1.189 14.392 -11.371 1.00 0.84 O ATOM 756 CB LYS A 138 0.482 15.521 -14.025 1.00 0.99 C ATOM 757 CG LYS A 138 0.390 16.686 -15.012 1.00 1.57 C ATOM 758 CD LYS A 138 -0.979 17.358 -14.886 1.00 2.09 C ATOM 759 CE LYS A 138 -1.474 17.774 -16.273 1.00 2.74 C ATOM 760 NZ LYS A 138 -2.197 19.057 -16.053 1.00 3.43 N ATOM 0 H LYS A 138 2.004 16.888 -12.782 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.887 16.520 -12.649 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.500 15.131 -14.001 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.164 14.705 -14.348 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.181 17.409 -14.812 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.537 16.326 -16.030 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -1.691 16.673 -14.425 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.909 18.231 -14.236 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.643 17.903 -16.967 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -2.132 17.018 -16.701 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -2.567 19.407 -16.960 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -2.986 18.902 -15.394 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -1.543 19.759 -15.652 1.00 3.43 H new ATOM 774 N ASP A 139 0.998 14.256 -11.217 1.00 0.75 N ATOM 775 CA ASP A 139 0.906 13.094 -10.286 1.00 0.78 C ATOM 776 C ASP A 139 0.557 13.575 -8.875 1.00 0.70 C ATOM 777 O ASP A 139 0.142 12.805 -8.032 1.00 0.81 O ATOM 778 CB ASP A 139 2.297 12.458 -10.307 1.00 0.97 C ATOM 779 CG ASP A 139 2.275 11.210 -11.191 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.546 10.288 -10.864 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.988 11.197 -12.181 1.00 1.66 O ATOM 0 H ASP A 139 1.946 14.559 -11.441 1.00 0.75 H new ATOM 0 HA ASP A 139 0.131 12.387 -10.582 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.029 13.172 -10.685 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.603 12.194 -9.295 1.00 0.97 H new ATOM 786 N GLY A 140 0.723 14.842 -8.612 1.00 0.64 N ATOM 787 CA GLY A 140 0.402 15.369 -7.255 1.00 0.62 C ATOM 788 C GLY A 140 -0.834 16.268 -7.330 1.00 0.57 C ATOM 789 O GLY A 140 -1.346 16.720 -6.325 1.00 0.65 O ATOM 0 H GLY A 140 1.067 15.535 -9.277 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.222 14.543 -6.567 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.249 15.931 -6.863 1.00 0.62 H new ATOM 793 N ASP A 141 -1.318 16.534 -8.512 1.00 0.56 N ATOM 794 CA ASP A 141 -2.521 17.405 -8.644 1.00 0.56 C ATOM 795 C ASP A 141 -3.207 17.165 -9.991 1.00 0.58 C ATOM 796 O ASP A 141 -3.104 17.963 -10.901 1.00 0.64 O ATOM 797 CB ASP A 141 -1.986 18.835 -8.564 1.00 0.60 C ATOM 798 CG ASP A 141 -3.067 19.751 -7.987 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.227 19.531 -8.292 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.715 20.658 -7.250 1.00 1.23 O ATOM 0 H ASP A 141 -0.934 16.187 -9.391 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.262 17.202 -7.871 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.095 18.867 -7.938 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.692 19.181 -9.555 1.00 0.60 H new ATOM 805 N LYS A 142 -3.909 16.074 -10.123 1.00 0.62 N ATOM 806 CA LYS A 142 -4.602 15.788 -11.411 1.00 0.70 C ATOM 807 C LYS A 142 -5.640 16.875 -11.701 1.00 0.79 C ATOM 808 O LYS A 142 -5.873 17.239 -12.837 1.00 0.92 O ATOM 809 CB LYS A 142 -5.280 14.433 -11.204 1.00 0.79 C ATOM 810 CG LYS A 142 -4.348 13.319 -11.683 1.00 0.88 C ATOM 811 CD LYS A 142 -5.102 11.988 -11.692 1.00 1.37 C ATOM 812 CE LYS A 142 -5.614 11.702 -13.104 1.00 1.79 C ATOM 813 NZ LYS A 142 -6.192 10.331 -13.033 1.00 2.44 N ATOM 0 H LYS A 142 -4.033 15.369 -9.396 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.916 15.771 -12.258 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.521 14.292 -10.150 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.220 14.397 -11.754 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.978 13.546 -12.683 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.479 13.252 -11.029 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.445 11.183 -11.362 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.936 12.026 -10.992 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -6.365 12.432 -13.407 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.807 11.753 -13.835 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -6.565 10.063 -13.966 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -5.453 9.657 -12.749 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.962 10.315 -12.335 1.00 2.44 H new ATOM 827 N ASN A 143 -6.262 17.402 -10.681 1.00 0.80 N ATOM 828 CA ASN A 143 -7.281 18.469 -10.898 1.00 0.95 C ATOM 829 C ASN A 143 -6.593 19.774 -11.309 1.00 0.92 C ATOM 830 O ASN A 143 -7.195 20.643 -11.908 1.00 1.08 O ATOM 831 CB ASN A 143 -7.979 18.638 -9.547 1.00 1.07 C ATOM 832 CG ASN A 143 -8.279 17.264 -8.945 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.929 16.445 -9.564 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.830 16.976 -7.754 1.00 1.70 N ATOM 0 H ASN A 143 -6.109 17.140 -9.707 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.985 18.212 -11.689 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.347 19.212 -8.870 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.904 19.200 -9.673 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.025 16.063 -7.343 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.284 17.664 -7.235 1.00 1.70 H new ATOM 841 N ASN A 144 -5.336 19.917 -10.989 1.00 0.86 N ATOM 842 CA ASN A 144 -4.608 21.165 -11.358 1.00 0.93 C ATOM 843 C ASN A 144 -5.198 22.362 -10.609 1.00 1.03 C ATOM 844 O ASN A 144 -5.211 23.472 -11.104 1.00 1.71 O ATOM 845 CB ASN A 144 -4.818 21.315 -12.865 1.00 1.08 C ATOM 846 CG ASN A 144 -3.462 21.475 -13.557 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.438 21.139 -12.997 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.412 21.978 -14.760 1.00 1.97 N ATOM 0 H ASN A 144 -4.781 19.223 -10.488 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.550 21.120 -11.098 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.338 20.442 -13.259 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.447 22.181 -13.071 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.513 22.089 -15.230 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.272 22.260 -15.231 1.00 1.97 H new ATOM 855 N ASP A 145 -5.685 22.147 -9.418 1.00 0.88 N ATOM 856 CA ASP A 145 -6.273 23.274 -8.638 1.00 0.92 C ATOM 857 C ASP A 145 -5.158 24.156 -8.067 1.00 0.91 C ATOM 858 O ASP A 145 -5.402 25.239 -7.573 1.00 1.07 O ATOM 859 CB ASP A 145 -7.062 22.607 -7.510 1.00 0.93 C ATOM 860 CG ASP A 145 -6.091 22.019 -6.484 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.923 21.888 -6.811 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.532 21.709 -5.389 1.00 2.06 O ATOM 0 H ASP A 145 -5.702 21.240 -8.951 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.905 23.917 -9.251 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.717 23.335 -7.031 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.700 21.821 -7.914 1.00 0.93 H new ATOM 867 N GLY A 146 -3.937 23.700 -8.132 1.00 0.84 N ATOM 868 CA GLY A 146 -2.808 24.511 -7.595 1.00 0.92 C ATOM 869 C GLY A 146 -2.552 24.129 -6.136 1.00 0.66 C ATOM 870 O GLY A 146 -1.982 24.888 -5.376 1.00 0.74 O ATOM 0 H GLY A 146 -3.672 22.801 -8.534 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -1.910 24.341 -8.189 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.043 25.573 -7.668 1.00 0.92 H new ATOM 874 N ARG A 147 -2.969 22.959 -5.737 1.00 0.56 N ATOM 875 CA ARG A 147 -2.748 22.531 -4.325 1.00 0.54 C ATOM 876 C ARG A 147 -2.538 21.015 -4.257 1.00 0.46 C ATOM 877 O ARG A 147 -3.273 20.249 -4.848 1.00 0.45 O ATOM 878 CB ARG A 147 -4.027 22.929 -3.587 1.00 0.77 C ATOM 879 CG ARG A 147 -4.241 24.439 -3.715 1.00 1.39 C ATOM 880 CD ARG A 147 -5.494 24.846 -2.935 1.00 1.79 C ATOM 881 NE ARG A 147 -5.162 26.169 -2.339 1.00 2.55 N ATOM 882 CZ ARG A 147 -4.250 26.260 -1.407 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.621 25.191 -0.997 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.966 27.422 -0.886 1.00 3.37 N ATOM 0 H ARG A 147 -3.453 22.281 -6.326 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.863 22.993 -3.887 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.881 22.393 -4.002 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.955 22.649 -2.536 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.372 24.974 -3.332 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.348 24.714 -4.764 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -6.362 24.915 -3.590 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.734 24.114 -2.164 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.648 27.007 -2.659 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.841 24.282 -1.404 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -2.910 25.265 -0.270 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -4.455 28.258 -1.206 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -3.255 27.495 -0.159 1.00 3.37 H new ATOM 898 N ILE A 148 -1.538 20.577 -3.541 1.00 0.49 N ATOM 899 CA ILE A 148 -1.281 19.112 -3.436 1.00 0.44 C ATOM 900 C ILE A 148 -1.476 18.643 -1.992 1.00 0.46 C ATOM 901 O ILE A 148 -0.567 18.686 -1.187 1.00 0.63 O ATOM 902 CB ILE A 148 0.176 18.933 -3.862 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.383 19.559 -5.244 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.511 17.442 -3.921 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.737 19.121 -5.806 1.00 0.63 C ATOM 0 H ILE A 148 -0.888 21.170 -3.025 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.962 18.529 -4.056 1.00 0.44 H new ATOM 0 HB ILE A 148 0.829 19.423 -3.140 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.418 19.253 -5.917 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.342 20.646 -5.172 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.550 17.314 -4.225 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.363 16.997 -2.937 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.141 16.951 -4.643 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.884 19.567 -6.790 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.532 19.449 -5.136 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.761 18.035 -5.893 1.00 0.63 H new ATOM 917 N ASP A 149 -2.654 18.193 -1.658 1.00 0.48 N ATOM 918 CA ASP A 149 -2.903 17.720 -0.266 1.00 0.53 C ATOM 919 C ASP A 149 -2.169 16.400 -0.018 1.00 0.53 C ATOM 920 O ASP A 149 -1.632 15.798 -0.927 1.00 0.63 O ATOM 921 CB ASP A 149 -4.415 17.514 -0.180 1.00 0.58 C ATOM 922 CG ASP A 149 -4.800 17.159 1.258 1.00 1.05 C ATOM 923 OD1 ASP A 149 -3.987 17.381 2.139 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.901 16.671 1.453 1.00 1.65 O ATOM 0 H ASP A 149 -3.454 18.132 -2.287 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.545 18.429 0.480 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.935 18.419 -0.494 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.724 16.718 -0.858 1.00 0.58 H new ATOM 929 N TYR A 150 -2.143 15.944 1.204 1.00 0.58 N ATOM 930 CA TYR A 150 -1.445 14.662 1.506 1.00 0.60 C ATOM 931 C TYR A 150 -2.136 13.505 0.779 1.00 0.59 C ATOM 932 O TYR A 150 -1.494 12.612 0.262 1.00 0.63 O ATOM 933 CB TYR A 150 -1.562 14.493 3.020 1.00 0.73 C ATOM 934 CG TYR A 150 -0.983 13.159 3.425 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.380 13.051 3.727 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.808 12.031 3.499 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.917 11.815 4.103 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.271 10.795 3.875 1.00 1.43 C ATOM 939 CZ TYR A 150 0.092 10.686 4.177 1.00 1.48 C ATOM 940 OH TYR A 150 0.621 9.467 4.548 1.00 1.96 O ATOM 0 H TYR A 150 -2.575 16.403 2.006 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.405 14.668 1.179 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.034 15.300 3.528 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.607 14.555 3.324 1.00 0.73 H new ATOM 0 HD1 TYR A 150 1.017 13.922 3.670 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -2.859 12.115 3.266 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.968 11.732 4.336 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.908 9.925 3.932 1.00 1.43 H new ATOM 0 HH TYR A 150 1.041 9.043 3.771 1.00 1.96 H new ATOM 950 N ASP A 151 -3.440 13.515 0.733 1.00 0.64 N ATOM 951 CA ASP A 151 -4.169 12.418 0.036 1.00 0.70 C ATOM 952 C ASP A 151 -3.662 12.287 -1.401 1.00 0.63 C ATOM 953 O ASP A 151 -3.366 11.206 -1.870 1.00 0.77 O ATOM 954 CB ASP A 151 -5.638 12.843 0.052 1.00 0.79 C ATOM 955 CG ASP A 151 -6.489 11.716 0.639 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.791 10.786 -0.090 1.00 1.83 O ATOM 957 OD2 ASP A 151 -6.825 11.802 1.809 1.00 1.90 O ATOM 0 H ASP A 151 -4.032 14.235 1.148 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.023 11.451 0.517 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.759 13.750 0.644 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.971 13.076 -0.959 1.00 0.79 H new ATOM 962 N GLU A 152 -3.555 13.382 -2.103 1.00 0.54 N ATOM 963 CA GLU A 152 -3.061 13.321 -3.507 1.00 0.56 C ATOM 964 C GLU A 152 -1.565 12.996 -3.520 1.00 0.52 C ATOM 965 O GLU A 152 -1.001 12.661 -4.543 1.00 0.65 O ATOM 966 CB GLU A 152 -3.311 14.717 -4.077 1.00 0.60 C ATOM 967 CG GLU A 152 -4.816 14.951 -4.216 1.00 0.77 C ATOM 968 CD GLU A 152 -5.067 16.371 -4.726 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.173 17.265 -3.902 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.148 16.541 -5.931 1.00 1.40 O ATOM 0 H GLU A 152 -3.788 14.316 -1.765 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.562 12.549 -4.091 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.874 15.472 -3.423 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.826 14.817 -5.048 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.246 14.224 -4.906 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.308 14.807 -3.254 1.00 0.77 H new ATOM 977 N PHE A 153 -0.918 13.091 -2.390 1.00 0.46 N ATOM 978 CA PHE A 153 0.540 12.787 -2.339 1.00 0.46 C ATOM 979 C PHE A 153 0.771 11.282 -2.490 1.00 0.50 C ATOM 980 O PHE A 153 1.778 10.848 -3.014 1.00 0.64 O ATOM 981 CB PHE A 153 1.000 13.265 -0.962 1.00 0.49 C ATOM 982 CG PHE A 153 2.508 13.356 -0.941 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.155 14.395 -1.621 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.258 12.401 -0.244 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.552 14.478 -1.605 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.655 12.485 -0.227 1.00 0.61 C ATOM 987 CZ PHE A 153 5.303 13.524 -0.907 1.00 0.68 C ATOM 0 H PHE A 153 -1.336 13.366 -1.501 1.00 0.46 H new ATOM 0 HA PHE A 153 1.091 13.276 -3.143 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.563 14.238 -0.738 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.655 12.575 -0.191 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.576 15.132 -2.158 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.759 11.600 0.280 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.051 15.278 -2.131 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.234 11.748 0.311 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.381 13.589 -0.893 1.00 0.68 H new ATOM 997 N LEU A 154 -0.153 10.482 -2.035 1.00 0.53 N ATOM 998 CA LEU A 154 0.016 9.006 -2.154 1.00 0.62 C ATOM 999 C LEU A 154 0.163 8.612 -3.626 1.00 0.65 C ATOM 1000 O LEU A 154 1.185 8.102 -4.043 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.262 8.412 -1.563 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.996 7.968 -0.124 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.021 6.789 -0.125 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.388 9.132 0.663 1.00 1.20 C ATOM 0 H LEU A 154 -1.017 10.786 -1.586 1.00 0.53 H new ATOM 0 HA LEU A 154 0.906 8.647 -1.638 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.064 9.150 -1.585 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.593 7.564 -2.162 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.933 7.663 0.342 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.168 6.473 0.901 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.453 5.960 -0.686 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.917 7.093 -0.590 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.198 8.817 1.689 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.549 9.436 0.197 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.082 9.972 0.664 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.847 8.849 -4.417 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.762 8.491 -5.861 1.00 0.81 C ATOM 1018 C GLU A 155 0.517 9.072 -6.469 1.00 0.76 C ATOM 1019 O GLU A 155 1.208 8.421 -7.227 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.998 9.125 -6.500 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.856 8.034 -7.143 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.270 8.472 -8.548 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.604 9.634 -8.711 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.247 7.637 -9.439 1.00 2.77 O ATOM 0 H GLU A 155 -1.727 9.275 -4.126 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.731 7.413 -6.021 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.576 9.660 -5.747 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.698 9.856 -7.251 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.298 7.099 -7.192 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.740 7.846 -6.534 1.00 1.41 H new ATOM 1031 N PHE A 156 0.841 10.292 -6.136 1.00 0.66 N ATOM 1032 CA PHE A 156 2.078 10.912 -6.690 1.00 0.77 C ATOM 1033 C PHE A 156 3.243 9.922 -6.600 1.00 0.71 C ATOM 1034 O PHE A 156 4.050 9.815 -7.501 1.00 0.88 O ATOM 1035 CB PHE A 156 2.339 12.131 -5.806 1.00 0.84 C ATOM 1036 CG PHE A 156 3.653 12.764 -6.195 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.711 13.648 -7.279 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.815 12.465 -5.473 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.930 14.234 -7.641 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.034 13.050 -5.835 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.091 13.935 -6.919 1.00 1.53 C ATOM 0 H PHE A 156 0.303 10.886 -5.505 1.00 0.66 H new ATOM 0 HA PHE A 156 1.972 11.187 -7.739 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.529 12.853 -5.915 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.362 11.835 -4.757 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.815 13.878 -7.836 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.771 11.783 -4.637 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.974 14.916 -8.477 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.930 12.819 -5.279 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.031 14.387 -7.198 1.00 1.53 H new ATOM 1051 N MET A 157 3.331 9.195 -5.520 1.00 0.61 N ATOM 1052 CA MET A 157 4.439 8.209 -5.372 1.00 0.69 C ATOM 1053 C MET A 157 4.084 6.910 -6.099 1.00 0.83 C ATOM 1054 O MET A 157 4.904 6.321 -6.774 1.00 1.17 O ATOM 1055 CB MET A 157 4.557 7.964 -3.867 1.00 0.84 C ATOM 1056 CG MET A 157 4.723 9.301 -3.143 1.00 0.92 C ATOM 1057 SD MET A 157 5.773 9.070 -1.686 1.00 1.56 S ATOM 1058 CE MET A 157 6.993 10.347 -2.082 1.00 0.90 C ATOM 0 H MET A 157 2.683 9.241 -4.733 1.00 0.61 H new ATOM 0 HA MET A 157 5.374 8.571 -5.799 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.669 7.448 -3.501 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.410 7.318 -3.659 1.00 0.84 H new ATOM 0 HG2 MET A 157 5.168 10.037 -3.813 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.749 9.689 -2.845 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.636 10.517 -1.218 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.600 10.021 -2.927 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.480 11.273 -2.340 1.00 0.90 H new ATOM 1068 N LYS A 158 2.865 6.460 -5.964 1.00 0.86 N ATOM 1069 CA LYS A 158 2.455 5.199 -6.646 1.00 1.07 C ATOM 1070 C LYS A 158 3.562 4.149 -6.521 1.00 1.36 C ATOM 1071 O LYS A 158 3.719 3.295 -7.371 1.00 1.73 O ATOM 1072 CB LYS A 158 2.248 5.591 -8.110 1.00 1.28 C ATOM 1073 CG LYS A 158 0.754 5.553 -8.445 1.00 1.66 C ATOM 1074 CD LYS A 158 0.511 6.256 -9.782 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.427 5.408 -10.644 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.431 6.072 -11.978 1.00 3.52 N ATOM 0 H LYS A 158 2.136 6.911 -5.411 1.00 0.86 H new ATOM 0 HA LYS A 158 1.555 4.765 -6.210 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.646 6.590 -8.289 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.795 4.908 -8.761 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.409 4.520 -8.497 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.181 6.041 -7.656 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.075 7.241 -9.613 1.00 2.24 H new ATOM 0 HD3 LYS A 158 1.457 6.411 -10.300 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.074 4.379 -10.716 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.430 5.372 -10.218 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.053 5.547 -12.625 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.778 7.047 -11.879 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.535 6.085 -12.362 1.00 3.52 H new