USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 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 180:sc= 0 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 :FLIP amide:sc= -0.677 F(o=-1.5!,f=-0.68) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 154:sc= 0.205 (180deg=0.0598) USER MOD Single : A 120 MET CE :methyl -143:sc= -10.8! (180deg=-12!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 137 MET CE :methyl 146:sc= -12! (180deg=-15.7!) USER MOD Single : A 138 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.106) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD Single : A 144 ASN : amide:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -153:sc= -0.121 (180deg=-1.14) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.395 4.890 1.907 1.00 1.27 N ATOM 28 CA LYS A 92 8.062 3.485 1.531 1.00 1.47 C ATOM 29 C LYS A 92 6.543 3.306 1.445 1.00 1.40 C ATOM 30 O LYS A 92 5.960 3.380 0.382 1.00 1.56 O ATOM 31 CB LYS A 92 8.644 2.625 2.654 1.00 1.61 C ATOM 32 CG LYS A 92 10.081 2.233 2.302 1.00 1.94 C ATOM 33 CD LYS A 92 10.390 0.848 2.875 1.00 2.31 C ATOM 34 CE LYS A 92 11.801 0.845 3.470 1.00 2.59 C ATOM 35 NZ LYS A 92 12.209 -0.587 3.485 1.00 3.20 N ATOM 0 HA LYS A 92 8.468 3.210 0.557 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.626 3.175 3.595 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.036 1.731 2.795 1.00 1.61 H new ATOM 0 HG2 LYS A 92 10.213 2.228 1.220 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.778 2.968 2.704 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.660 0.589 3.642 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.312 0.093 2.092 1.00 2.31 H new ATOM 0 HE2 LYS A 92 12.485 1.444 2.868 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.807 1.268 4.475 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 13.167 -0.671 3.880 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.544 -1.131 4.071 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 12.201 -0.960 2.514 1.00 3.20 H new ATOM 49 N SER A 93 5.897 3.072 2.555 1.00 1.38 N ATOM 50 CA SER A 93 4.416 2.890 2.532 1.00 1.40 C ATOM 51 C SER A 93 3.725 4.073 3.216 1.00 1.20 C ATOM 52 O SER A 93 4.354 5.046 3.582 1.00 1.08 O ATOM 53 CB SER A 93 4.165 1.599 3.308 1.00 1.60 C ATOM 54 OG SER A 93 4.645 0.495 2.552 1.00 2.20 O ATOM 0 H SER A 93 6.329 2.999 3.476 1.00 1.38 H new ATOM 0 HA SER A 93 4.022 2.839 1.517 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.668 1.639 4.274 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.100 1.482 3.507 1.00 1.60 H new ATOM 0 HG SER A 93 4.487 -0.335 3.048 1.00 2.20 H new ATOM 60 N GLU A 94 2.433 3.997 3.391 1.00 1.26 N ATOM 61 CA GLU A 94 1.701 5.116 4.050 1.00 1.17 C ATOM 62 C GLU A 94 2.252 5.354 5.459 1.00 1.12 C ATOM 63 O GLU A 94 2.014 6.380 6.064 1.00 1.09 O ATOM 64 CB GLU A 94 0.245 4.654 4.112 1.00 1.33 C ATOM 65 CG GLU A 94 -0.355 4.678 2.705 1.00 1.28 C ATOM 66 CD GLU A 94 -1.366 3.539 2.560 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.483 3.703 3.023 1.00 1.94 O ATOM 68 OE2 GLU A 94 -1.006 2.522 1.991 1.00 2.09 O ATOM 0 H GLU A 94 1.853 3.208 3.106 1.00 1.26 H new ATOM 0 HA GLU A 94 1.807 6.055 3.507 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.188 3.647 4.526 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.327 5.304 4.774 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.842 5.636 2.523 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.434 4.575 1.960 1.00 1.28 H new ATOM 75 N GLU A 95 2.988 4.414 5.984 1.00 1.19 N ATOM 76 CA GLU A 95 3.556 4.588 7.351 1.00 1.23 C ATOM 77 C GLU A 95 4.573 5.732 7.354 1.00 1.03 C ATOM 78 O GLU A 95 4.537 6.606 8.198 1.00 1.01 O ATOM 79 CB GLU A 95 4.243 3.260 7.668 1.00 1.45 C ATOM 80 CG GLU A 95 4.013 2.905 9.138 1.00 1.90 C ATOM 81 CD GLU A 95 4.480 4.062 10.022 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.497 4.654 9.701 1.00 2.66 O ATOM 83 OE2 GLU A 95 3.813 4.338 11.005 1.00 2.49 O ATOM 0 H GLU A 95 3.221 3.533 5.526 1.00 1.19 H new ATOM 0 HA GLU A 95 2.793 4.836 8.088 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.848 2.472 7.027 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.311 3.333 7.463 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.956 2.703 9.313 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.558 1.996 9.393 1.00 1.90 H new ATOM 90 N GLU A 96 5.478 5.735 6.415 1.00 1.02 N ATOM 91 CA GLU A 96 6.496 6.823 6.361 1.00 0.94 C ATOM 92 C GLU A 96 6.046 7.914 5.387 1.00 0.79 C ATOM 93 O GLU A 96 6.381 9.073 5.538 1.00 0.82 O ATOM 94 CB GLU A 96 7.772 6.148 5.857 1.00 1.15 C ATOM 95 CG GLU A 96 8.956 6.590 6.719 1.00 1.62 C ATOM 96 CD GLU A 96 9.363 5.449 7.653 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.361 4.314 7.206 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.671 5.729 8.800 1.00 2.18 O ATOM 0 H GLU A 96 5.557 5.031 5.682 1.00 1.02 H new ATOM 0 HA GLU A 96 6.644 7.300 7.330 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.663 5.064 5.897 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.949 6.412 4.814 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.796 6.872 6.084 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.687 7.472 7.301 1.00 1.62 H new ATOM 105 N LEU A 97 5.288 7.552 4.388 1.00 0.77 N ATOM 106 CA LEU A 97 4.814 8.566 3.403 1.00 0.71 C ATOM 107 C LEU A 97 4.336 9.825 4.130 1.00 0.67 C ATOM 108 O LEU A 97 4.648 10.934 3.743 1.00 0.75 O ATOM 109 CB LEU A 97 3.649 7.894 2.677 1.00 0.80 C ATOM 110 CG LEU A 97 4.109 7.425 1.297 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.727 8.601 0.538 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.152 6.317 1.458 1.00 1.22 C ATOM 0 H LEU A 97 4.976 6.597 4.211 1.00 0.77 H new ATOM 0 HA LEU A 97 5.601 8.875 2.716 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.285 7.047 3.258 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.818 8.592 2.577 1.00 0.80 H new ATOM 0 HG LEU A 97 3.254 7.042 0.739 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.055 8.267 -0.446 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.985 9.391 0.424 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.582 8.984 1.095 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.481 5.981 0.475 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.007 6.700 2.015 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.712 5.479 1.999 1.00 1.22 H new ATOM 124 N SER A 98 3.579 9.663 5.179 1.00 0.69 N ATOM 125 CA SER A 98 3.081 10.850 5.929 1.00 0.76 C ATOM 126 C SER A 98 4.257 11.654 6.490 1.00 0.72 C ATOM 127 O SER A 98 4.345 12.852 6.310 1.00 0.77 O ATOM 128 CB SER A 98 2.234 10.274 7.063 1.00 0.92 C ATOM 129 OG SER A 98 1.155 11.157 7.344 1.00 1.57 O ATOM 0 H SER A 98 3.283 8.760 5.550 1.00 0.69 H new ATOM 0 HA SER A 98 2.508 11.528 5.296 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.851 9.292 6.783 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.846 10.135 7.954 1.00 0.92 H new ATOM 0 HG SER A 98 0.610 10.787 8.070 1.00 1.57 H new ATOM 135 N ASP A 99 5.162 11.004 7.170 1.00 0.80 N ATOM 136 CA ASP A 99 6.331 11.734 7.741 1.00 0.86 C ATOM 137 C ASP A 99 7.118 12.429 6.626 1.00 0.81 C ATOM 138 O ASP A 99 7.940 13.288 6.877 1.00 0.91 O ATOM 139 CB ASP A 99 7.185 10.656 8.410 1.00 1.02 C ATOM 140 CG ASP A 99 6.300 9.780 9.299 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.182 10.185 9.571 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.756 8.719 9.693 1.00 1.83 O ATOM 0 H ASP A 99 5.143 10.001 7.355 1.00 0.80 H new ATOM 0 HA ASP A 99 6.029 12.509 8.446 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.676 10.045 7.653 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.972 11.119 9.006 1.00 1.02 H new ATOM 147 N LEU A 100 6.873 12.066 5.396 1.00 0.75 N ATOM 148 CA LEU A 100 7.609 12.709 4.269 1.00 0.76 C ATOM 149 C LEU A 100 6.870 13.966 3.803 1.00 0.68 C ATOM 150 O LEU A 100 7.451 14.858 3.217 1.00 0.79 O ATOM 151 CB LEU A 100 7.631 11.659 3.158 1.00 0.86 C ATOM 152 CG LEU A 100 9.040 11.565 2.570 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.412 10.095 2.374 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.077 12.283 1.219 1.00 1.41 C ATOM 0 H LEU A 100 6.196 11.353 5.123 1.00 0.75 H new ATOM 0 HA LEU A 100 8.614 13.019 4.557 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.325 10.690 3.553 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.917 11.925 2.378 1.00 0.86 H new ATOM 0 HG LEU A 100 9.751 12.033 3.251 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.416 10.026 1.955 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.384 9.581 3.335 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.702 9.628 1.692 1.00 1.41 H new ATOM 0 HD21 LEU A 100 10.081 12.217 0.799 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.367 11.814 0.538 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.810 13.331 1.356 1.00 1.41 H new ATOM 166 N PHE A 101 5.593 14.042 4.055 1.00 0.60 N ATOM 167 CA PHE A 101 4.818 15.242 3.623 1.00 0.59 C ATOM 168 C PHE A 101 5.214 16.463 4.459 1.00 0.60 C ATOM 169 O PHE A 101 5.194 17.582 3.984 1.00 0.72 O ATOM 170 CB PHE A 101 3.352 14.878 3.861 1.00 0.61 C ATOM 171 CG PHE A 101 2.467 15.824 3.084 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.249 17.123 3.556 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.865 15.401 1.892 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.429 18.001 2.836 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.046 16.279 1.172 1.00 0.90 C ATOM 176 CZ PHE A 101 0.827 17.579 1.645 1.00 0.69 C ATOM 0 H PHE A 101 5.052 13.327 4.541 1.00 0.60 H new ATOM 0 HA PHE A 101 5.008 15.500 2.581 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.166 13.850 3.550 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.120 14.936 4.924 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.713 17.449 4.475 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.033 14.398 1.529 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.261 19.004 3.200 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.583 15.954 0.252 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.194 18.256 1.091 1.00 0.69 H new ATOM 186 N ARG A 102 5.576 16.263 5.698 1.00 0.67 N ATOM 187 CA ARG A 102 5.972 17.421 6.551 1.00 0.76 C ATOM 188 C ARG A 102 7.233 18.082 5.986 1.00 0.68 C ATOM 189 O ARG A 102 7.416 19.280 6.084 1.00 0.78 O ATOM 190 CB ARG A 102 6.244 16.828 7.936 1.00 0.99 C ATOM 191 CG ARG A 102 7.598 16.115 7.939 1.00 1.30 C ATOM 192 CD ARG A 102 7.663 15.138 9.117 1.00 1.45 C ATOM 193 NE ARG A 102 8.660 15.729 10.054 1.00 2.12 N ATOM 194 CZ ARG A 102 8.308 16.673 10.888 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.078 17.111 10.909 1.00 3.07 N ATOM 196 NH2 ARG A 102 9.191 17.180 11.704 1.00 3.37 N ATOM 0 H ARG A 102 5.615 15.352 6.155 1.00 0.67 H new ATOM 0 HA ARG A 102 5.200 18.190 6.589 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.237 17.618 8.687 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.453 16.127 8.203 1.00 0.99 H new ATOM 0 HG2 ARG A 102 7.740 15.579 7.001 1.00 1.30 H new ATOM 0 HG3 ARG A 102 8.404 16.845 8.014 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.689 15.030 9.594 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.970 14.145 8.789 1.00 1.45 H new ATOM 0 HE ARG A 102 9.624 15.395 10.045 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.385 16.717 10.273 1.00 3.07 H new ATOM 0 HH12 ARG A 102 6.810 17.847 11.562 1.00 3.07 H new ATOM 0 HH21 ARG A 102 10.153 16.840 11.690 1.00 3.37 H new ATOM 0 HH22 ARG A 102 8.920 17.916 12.356 1.00 3.37 H new ATOM 210 N MET A 103 8.101 17.311 5.391 1.00 0.71 N ATOM 211 CA MET A 103 9.345 17.894 4.814 1.00 0.75 C ATOM 212 C MET A 103 9.095 18.323 3.367 1.00 0.68 C ATOM 213 O MET A 103 9.605 19.326 2.909 1.00 0.83 O ATOM 214 CB MET A 103 10.377 16.767 4.871 1.00 0.93 C ATOM 215 CG MET A 103 11.537 17.185 5.777 1.00 1.27 C ATOM 216 SD MET A 103 11.210 16.629 7.469 1.00 1.82 S ATOM 217 CE MET A 103 11.628 18.180 8.303 1.00 2.43 C ATOM 0 H MET A 103 8.002 16.302 5.279 1.00 0.71 H new ATOM 0 HA MET A 103 9.682 18.777 5.357 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.915 15.855 5.250 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.745 16.545 3.869 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.470 16.753 5.415 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.658 18.268 5.755 1.00 1.27 H new ATOM 0 HE1 MET A 103 11.495 18.062 9.378 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.666 18.438 8.092 1.00 2.43 H new ATOM 0 HE3 MET A 103 10.975 18.975 7.942 1.00 2.43 H new ATOM 227 N PHE A 104 8.308 17.571 2.647 1.00 0.68 N ATOM 228 CA PHE A 104 8.017 17.936 1.232 1.00 0.79 C ATOM 229 C PHE A 104 7.463 19.360 1.164 1.00 0.71 C ATOM 230 O PHE A 104 7.831 20.142 0.310 1.00 0.88 O ATOM 231 CB PHE A 104 6.962 16.929 0.774 1.00 0.94 C ATOM 232 CG PHE A 104 7.478 16.163 -0.421 1.00 1.31 C ATOM 233 CD1 PHE A 104 8.320 15.060 -0.235 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.112 16.555 -1.714 1.00 1.26 C ATOM 235 CE1 PHE A 104 8.796 14.349 -1.342 1.00 2.65 C ATOM 236 CE2 PHE A 104 7.588 15.843 -2.822 1.00 1.86 C ATOM 237 CZ PHE A 104 8.430 14.740 -2.636 1.00 2.56 C ATOM 0 H PHE A 104 7.854 16.720 2.978 1.00 0.68 H new ATOM 0 HA PHE A 104 8.907 17.908 0.603 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.725 16.241 1.585 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.038 17.447 0.516 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.602 14.758 0.763 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.463 17.406 -1.857 1.00 1.26 H new ATOM 0 HE1 PHE A 104 9.446 13.498 -1.199 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.306 16.145 -3.820 1.00 1.86 H new ATOM 0 HZ PHE A 104 8.797 14.191 -3.490 1.00 2.56 H new ATOM 247 N ASP A 105 6.579 19.702 2.061 1.00 0.61 N ATOM 248 CA ASP A 105 5.998 21.075 2.054 1.00 0.60 C ATOM 249 C ASP A 105 7.114 22.121 2.127 1.00 0.56 C ATOM 250 O ASP A 105 7.660 22.388 3.179 1.00 0.63 O ATOM 251 CB ASP A 105 5.119 21.138 3.304 1.00 0.68 C ATOM 252 CG ASP A 105 4.057 22.224 3.127 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.246 23.076 2.275 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.073 22.185 3.846 1.00 1.45 O ATOM 0 H ASP A 105 6.233 19.089 2.800 1.00 0.61 H new ATOM 0 HA ASP A 105 5.430 21.280 1.146 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.642 20.173 3.475 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.730 21.352 4.181 1.00 0.68 H new ATOM 259 N LYS A 106 7.458 22.712 1.016 1.00 0.59 N ATOM 260 CA LYS A 106 8.541 23.737 1.020 1.00 0.66 C ATOM 261 C LYS A 106 8.157 24.910 1.927 1.00 0.55 C ATOM 262 O LYS A 106 8.869 25.253 2.849 1.00 0.63 O ATOM 263 CB LYS A 106 8.654 24.197 -0.434 1.00 0.87 C ATOM 264 CG LYS A 106 9.827 25.169 -0.573 1.00 1.21 C ATOM 265 CD LYS A 106 11.118 24.382 -0.806 1.00 1.61 C ATOM 266 CE LYS A 106 11.745 24.018 0.542 1.00 1.77 C ATOM 267 NZ LYS A 106 13.140 24.535 0.469 1.00 2.14 N ATOM 0 H LYS A 106 7.036 22.530 0.105 1.00 0.59 H new ATOM 0 HA LYS A 106 9.484 23.341 1.397 1.00 0.66 H new ATOM 0 HB2 LYS A 106 8.801 23.337 -1.088 1.00 0.87 H new ATOM 0 HB3 LYS A 106 7.728 24.681 -0.746 1.00 0.87 H new ATOM 0 HG2 LYS A 106 9.650 25.852 -1.404 1.00 1.21 H new ATOM 0 HG3 LYS A 106 9.917 25.778 0.327 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.907 23.478 -1.377 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.817 24.975 -1.396 1.00 1.61 H new ATOM 0 HE2 LYS A 106 11.198 24.473 1.368 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.731 22.940 0.706 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.636 24.323 1.358 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.638 24.079 -0.322 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.121 25.564 0.319 1.00 2.14 H new ATOM 281 N ASN A 107 7.035 25.525 1.672 1.00 0.48 N ATOM 282 CA ASN A 107 6.606 26.673 2.521 1.00 0.50 C ATOM 283 C ASN A 107 6.031 26.162 3.844 1.00 0.58 C ATOM 284 O ASN A 107 5.936 26.888 4.814 1.00 0.70 O ATOM 285 CB ASN A 107 5.527 27.386 1.705 1.00 0.54 C ATOM 286 CG ASN A 107 4.796 28.393 2.595 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.503 28.298 2.742 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 5.409 29.276 3.162 1.00 0.78 N flip ATOM 0 H ASN A 107 6.397 25.283 0.914 1.00 0.48 H new ATOM 0 HA ASN A 107 7.433 27.338 2.770 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.978 27.897 0.854 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.821 26.660 1.303 1.00 0.54 H new ATOM 0 HD21 ASN A 107 6.420 29.350 3.047 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.913 29.943 3.753 1.00 0.78 H new ATOM 295 N ALA A 108 5.650 24.914 3.890 1.00 0.65 N ATOM 296 CA ALA A 108 5.083 24.351 5.149 1.00 0.84 C ATOM 297 C ALA A 108 3.761 25.043 5.495 1.00 0.78 C ATOM 298 O ALA A 108 3.704 25.903 6.351 1.00 0.96 O ATOM 299 CB ALA A 108 6.135 24.638 6.220 1.00 1.03 C ATOM 0 H ALA A 108 5.707 24.260 3.110 1.00 0.65 H new ATOM 0 HA ALA A 108 4.868 23.286 5.063 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.791 24.253 7.180 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.072 24.152 5.949 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.293 25.714 6.296 1.00 1.03 H new ATOM 305 N ASP A 109 2.697 24.672 4.836 1.00 0.73 N ATOM 306 CA ASP A 109 1.378 25.305 5.127 1.00 0.74 C ATOM 307 C ASP A 109 0.257 24.265 5.030 1.00 0.78 C ATOM 308 O ASP A 109 -0.912 24.594 5.061 1.00 0.96 O ATOM 309 CB ASP A 109 1.205 26.378 4.052 1.00 0.72 C ATOM 310 CG ASP A 109 1.049 25.711 2.684 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.167 24.498 2.622 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.813 26.424 1.722 1.00 1.95 O ATOM 0 H ASP A 109 2.684 23.958 4.108 1.00 0.73 H new ATOM 0 HA ASP A 109 1.337 25.724 6.132 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.330 26.990 4.272 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.067 27.045 4.047 1.00 0.72 H new ATOM 317 N GLY A 110 0.604 23.012 4.911 1.00 0.76 N ATOM 318 CA GLY A 110 -0.444 21.956 4.811 1.00 0.85 C ATOM 319 C GLY A 110 -0.785 21.710 3.339 1.00 0.70 C ATOM 320 O GLY A 110 -1.690 20.964 3.018 1.00 0.73 O ATOM 0 H GLY A 110 1.566 22.674 4.879 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.091 21.034 5.272 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.337 22.263 5.355 1.00 0.85 H new ATOM 324 N TYR A 111 -0.069 22.330 2.441 1.00 0.68 N ATOM 325 CA TYR A 111 -0.354 22.130 0.991 1.00 0.60 C ATOM 326 C TYR A 111 0.903 22.410 0.165 1.00 0.58 C ATOM 327 O TYR A 111 1.657 23.318 0.453 1.00 0.83 O ATOM 328 CB TYR A 111 -1.453 23.141 0.663 1.00 0.68 C ATOM 329 CG TYR A 111 -2.643 22.891 1.558 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.539 21.857 1.260 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.848 23.691 2.689 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.640 21.624 2.093 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.949 23.458 3.520 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.845 22.424 3.223 1.00 0.80 C ATOM 335 OH TYR A 111 -5.930 22.193 4.043 1.00 0.90 O ATOM 0 H TYR A 111 0.701 22.966 2.648 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.661 21.109 0.764 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.083 24.156 0.805 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.745 23.052 -0.383 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.381 21.240 0.388 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.156 24.488 2.920 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.331 20.827 1.863 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.108 24.076 4.391 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.924 22.836 4.782 1.00 0.90 H new ATOM 345 N ILE A 112 1.138 21.634 -0.858 1.00 0.50 N ATOM 346 CA ILE A 112 2.351 21.857 -1.696 1.00 0.50 C ATOM 347 C ILE A 112 1.965 22.487 -3.036 1.00 0.49 C ATOM 348 O ILE A 112 1.010 22.086 -3.670 1.00 0.66 O ATOM 349 CB ILE A 112 2.944 20.465 -1.912 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.501 19.937 -0.588 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.071 20.547 -2.942 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.176 18.583 -0.820 1.00 0.66 C ATOM 0 H ILE A 112 0.544 20.857 -1.149 1.00 0.50 H new ATOM 0 HA ILE A 112 3.060 22.535 -1.220 1.00 0.50 H new ATOM 0 HB ILE A 112 2.168 19.791 -2.274 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.218 20.646 -0.175 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.697 19.834 0.141 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.495 19.555 -3.097 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.675 20.924 -3.885 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.847 21.221 -2.579 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.572 18.208 0.123 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.446 17.876 -1.214 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.991 18.700 -1.535 1.00 0.66 H new ATOM 364 N ASP A 113 2.705 23.470 -3.472 1.00 0.47 N ATOM 365 CA ASP A 113 2.386 24.125 -4.772 1.00 0.50 C ATOM 366 C ASP A 113 3.407 23.708 -5.833 1.00 0.50 C ATOM 367 O ASP A 113 4.341 22.982 -5.557 1.00 0.57 O ATOM 368 CB ASP A 113 2.484 25.625 -4.493 1.00 0.60 C ATOM 369 CG ASP A 113 1.301 26.345 -5.142 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.215 26.275 -4.590 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.501 26.955 -6.179 1.00 1.77 O ATOM 0 H ASP A 113 3.517 23.848 -2.984 1.00 0.47 H new ATOM 0 HA ASP A 113 1.402 23.845 -5.148 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.488 25.806 -3.418 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.422 26.018 -4.886 1.00 0.60 H new ATOM 376 N LEU A 114 3.239 24.161 -7.045 1.00 0.52 N ATOM 377 CA LEU A 114 4.204 23.788 -8.119 1.00 0.57 C ATOM 378 C LEU A 114 5.626 24.183 -7.711 1.00 0.63 C ATOM 379 O LEU A 114 6.500 23.350 -7.584 1.00 0.80 O ATOM 380 CB LEU A 114 3.757 24.581 -9.347 1.00 0.62 C ATOM 381 CG LEU A 114 2.323 24.195 -9.710 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.453 25.452 -9.761 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.311 23.512 -11.080 1.00 0.81 C ATOM 0 H LEU A 114 2.477 24.772 -7.338 1.00 0.52 H new ATOM 0 HA LEU A 114 4.215 22.715 -8.311 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.817 25.650 -9.144 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.423 24.378 -10.186 1.00 0.62 H new ATOM 0 HG LEU A 114 1.930 23.511 -8.958 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.431 25.177 -10.020 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.462 25.940 -8.787 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.846 26.136 -10.513 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.289 23.236 -11.340 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.704 24.197 -11.831 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.931 22.616 -11.045 1.00 0.81 H new ATOM 395 N ASP A 115 5.861 25.450 -7.504 1.00 0.61 N ATOM 396 CA ASP A 115 7.226 25.903 -7.104 1.00 0.71 C ATOM 397 C ASP A 115 7.731 25.082 -5.914 1.00 0.65 C ATOM 398 O ASP A 115 8.807 24.518 -5.947 1.00 0.89 O ATOM 399 CB ASP A 115 7.053 27.369 -6.705 1.00 0.80 C ATOM 400 CG ASP A 115 8.201 28.196 -7.287 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.629 27.889 -8.387 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.633 29.124 -6.622 1.00 1.76 O ATOM 0 H ASP A 115 5.167 26.192 -7.594 1.00 0.61 H new ATOM 0 HA ASP A 115 7.953 25.779 -7.906 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.098 27.746 -7.070 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.038 27.462 -5.619 1.00 0.80 H new ATOM 407 N GLU A 116 6.963 25.017 -4.863 1.00 0.51 N ATOM 408 CA GLU A 116 7.395 24.239 -3.665 1.00 0.48 C ATOM 409 C GLU A 116 7.964 22.882 -4.089 1.00 0.49 C ATOM 410 O GLU A 116 8.990 22.449 -3.603 1.00 0.63 O ATOM 411 CB GLU A 116 6.126 24.054 -2.832 1.00 0.48 C ATOM 412 CG GLU A 116 5.439 25.408 -2.636 1.00 0.57 C ATOM 413 CD GLU A 116 4.637 25.388 -1.334 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.198 25.002 -0.322 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.475 25.759 -1.372 1.00 1.36 O ATOM 0 H GLU A 116 6.053 25.469 -4.780 1.00 0.51 H new ATOM 0 HA GLU A 116 8.179 24.748 -3.104 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.449 23.360 -3.331 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.374 23.617 -1.865 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.183 26.204 -2.606 1.00 0.57 H new ATOM 0 HG3 GLU A 116 4.780 25.619 -3.478 1.00 0.57 H new ATOM 422 N LEU A 117 7.306 22.208 -4.992 1.00 0.48 N ATOM 423 CA LEU A 117 7.811 20.879 -5.447 1.00 0.52 C ATOM 424 C LEU A 117 9.164 21.039 -6.146 1.00 0.58 C ATOM 425 O LEU A 117 9.891 20.084 -6.338 1.00 0.69 O ATOM 426 CB LEU A 117 6.761 20.374 -6.437 1.00 0.55 C ATOM 427 CG LEU A 117 5.459 20.070 -5.697 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.285 20.150 -6.675 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.529 18.661 -5.103 1.00 0.53 C ATOM 0 H LEU A 117 6.441 22.519 -5.435 1.00 0.48 H new ATOM 0 HA LEU A 117 7.958 20.188 -4.617 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.585 21.123 -7.209 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.123 19.477 -6.940 1.00 0.55 H new ATOM 0 HG LEU A 117 5.317 20.797 -4.898 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.356 19.933 -6.147 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.234 21.152 -7.102 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.427 19.422 -7.474 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.601 18.442 -4.575 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.670 17.935 -5.904 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.366 18.601 -4.407 1.00 0.53 H new ATOM 441 N LYS A 118 9.502 22.237 -6.536 1.00 0.59 N ATOM 442 CA LYS A 118 10.802 22.458 -7.232 1.00 0.69 C ATOM 443 C LYS A 118 11.893 22.848 -6.229 1.00 0.64 C ATOM 444 O LYS A 118 12.870 22.147 -6.057 1.00 0.73 O ATOM 445 CB LYS A 118 10.532 23.605 -8.206 1.00 0.83 C ATOM 446 CG LYS A 118 11.851 24.085 -8.814 1.00 0.99 C ATOM 447 CD LYS A 118 11.653 25.470 -9.434 1.00 1.35 C ATOM 448 CE LYS A 118 12.504 26.494 -8.680 1.00 1.51 C ATOM 449 NZ LYS A 118 11.597 27.652 -8.450 1.00 1.99 N ATOM 0 H LYS A 118 8.934 23.074 -6.403 1.00 0.59 H new ATOM 0 HA LYS A 118 11.155 21.560 -7.740 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.856 23.274 -8.994 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.039 24.427 -7.687 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.624 24.126 -8.047 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.192 23.380 -9.573 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.935 25.452 -10.487 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.601 25.753 -9.390 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.870 26.086 -7.738 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.378 26.786 -9.262 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.911 28.178 -7.610 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.618 28.280 -9.279 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.627 27.309 -8.301 1.00 1.99 H new ATOM 463 N ILE A 119 11.738 23.966 -5.575 1.00 0.68 N ATOM 464 CA ILE A 119 12.772 24.409 -4.593 1.00 0.74 C ATOM 465 C ILE A 119 12.996 23.340 -3.519 1.00 0.75 C ATOM 466 O ILE A 119 14.056 23.252 -2.933 1.00 0.85 O ATOM 467 CB ILE A 119 12.205 25.684 -3.971 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.767 26.641 -5.082 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.280 26.356 -3.116 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.255 26.859 -5.003 1.00 1.06 C ATOM 0 H ILE A 119 10.940 24.593 -5.677 1.00 0.68 H new ATOM 0 HA ILE A 119 13.739 24.578 -5.068 1.00 0.74 H new ATOM 0 HB ILE A 119 11.348 25.433 -3.346 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.288 27.593 -4.982 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.035 26.231 -6.056 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.876 27.266 -2.672 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.594 25.675 -2.325 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.137 26.607 -3.741 1.00 1.08 H new ATOM 0 HD11 ILE A 119 9.944 27.541 -5.795 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.743 25.904 -5.124 1.00 1.06 H new ATOM 0 HD13 ILE A 119 9.999 27.287 -4.034 1.00 1.06 H new ATOM 482 N MET A 120 12.009 22.530 -3.251 1.00 0.85 N ATOM 483 CA MET A 120 12.179 21.475 -2.209 1.00 1.01 C ATOM 484 C MET A 120 13.313 20.524 -2.596 1.00 0.95 C ATOM 485 O MET A 120 14.216 20.271 -1.823 1.00 1.11 O ATOM 486 CB MET A 120 10.846 20.728 -2.172 1.00 1.17 C ATOM 487 CG MET A 120 10.833 19.771 -0.978 1.00 1.52 C ATOM 488 SD MET A 120 11.510 18.169 -1.480 1.00 1.88 S ATOM 489 CE MET A 120 9.963 17.449 -2.082 1.00 1.43 C ATOM 0 H MET A 120 11.096 22.551 -3.705 1.00 0.85 H new ATOM 0 HA MET A 120 12.435 21.898 -1.238 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.021 21.437 -2.093 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.702 20.173 -3.099 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.421 20.186 -0.160 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.815 19.648 -0.608 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.935 16.388 -1.834 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.119 17.954 -1.612 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.902 17.570 -3.164 1.00 1.43 H new ATOM 499 N LEU A 121 13.274 19.992 -3.787 1.00 0.87 N ATOM 500 CA LEU A 121 14.350 19.056 -4.220 1.00 0.95 C ATOM 501 C LEU A 121 15.631 19.832 -4.541 1.00 0.87 C ATOM 502 O LEU A 121 16.715 19.285 -4.543 1.00 0.97 O ATOM 503 CB LEU A 121 13.803 18.380 -5.478 1.00 1.09 C ATOM 504 CG LEU A 121 13.692 16.873 -5.241 1.00 1.41 C ATOM 505 CD1 LEU A 121 15.055 16.320 -4.822 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.670 16.604 -4.133 1.00 1.80 C ATOM 0 H LEU A 121 12.544 20.165 -4.478 1.00 0.87 H new ATOM 0 HA LEU A 121 14.604 18.333 -3.445 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.826 18.792 -5.729 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.460 18.578 -6.325 1.00 1.09 H new ATOM 0 HG LEU A 121 13.369 16.384 -6.160 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.976 15.246 -4.653 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.783 16.511 -5.611 1.00 2.03 H new ATOM 0 HD13 LEU A 121 15.379 16.809 -3.903 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.591 15.530 -3.964 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.993 17.093 -3.214 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.698 16.997 -4.431 1.00 1.80 H new ATOM 518 N GLN A 122 15.513 21.102 -4.814 1.00 0.82 N ATOM 519 CA GLN A 122 16.723 21.912 -5.136 1.00 0.95 C ATOM 520 C GLN A 122 17.866 21.565 -4.178 1.00 1.04 C ATOM 521 O GLN A 122 19.028 21.685 -4.514 1.00 1.19 O ATOM 522 CB GLN A 122 16.289 23.366 -4.948 1.00 1.14 C ATOM 523 CG GLN A 122 17.365 24.298 -5.512 1.00 1.42 C ATOM 524 CD GLN A 122 17.099 25.730 -5.045 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.227 26.400 -5.563 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.819 26.233 -4.079 1.00 2.28 N ATOM 0 H GLN A 122 14.631 21.615 -4.828 1.00 0.82 H new ATOM 0 HA GLN A 122 17.088 21.722 -6.145 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.340 23.541 -5.454 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.130 23.575 -3.890 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.351 23.974 -5.180 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.364 24.254 -6.601 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.551 25.672 -3.643 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.649 27.187 -3.760 1.00 2.28 H new ATOM 535 N ALA A 123 17.547 21.137 -2.988 1.00 1.09 N ATOM 536 CA ALA A 123 18.617 20.783 -2.011 1.00 1.33 C ATOM 537 C ALA A 123 19.572 19.751 -2.618 1.00 1.38 C ATOM 538 O ALA A 123 20.674 19.557 -2.144 1.00 1.62 O ATOM 539 CB ALA A 123 17.876 20.188 -0.813 1.00 1.45 C ATOM 0 H ALA A 123 16.592 21.017 -2.649 1.00 1.09 H new ATOM 0 HA ALA A 123 19.221 21.646 -1.731 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.595 19.901 -0.046 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.188 20.929 -0.406 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.315 19.309 -1.132 1.00 1.45 H new ATOM 545 N THR A 124 19.158 19.084 -3.661 1.00 1.29 N ATOM 546 CA THR A 124 20.044 18.063 -4.293 1.00 1.47 C ATOM 547 C THR A 124 20.651 18.613 -5.588 1.00 1.44 C ATOM 548 O THR A 124 21.542 18.023 -6.166 1.00 1.72 O ATOM 549 CB THR A 124 19.128 16.871 -4.584 1.00 1.56 C ATOM 550 OG1 THR A 124 19.918 15.711 -4.802 1.00 2.16 O ATOM 551 CG2 THR A 124 18.283 17.155 -5.829 1.00 1.92 C ATOM 0 H THR A 124 18.246 19.201 -4.103 1.00 1.29 H new ATOM 0 HA THR A 124 20.880 17.785 -3.651 1.00 1.47 H new ATOM 0 HB THR A 124 18.467 16.710 -3.732 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.333 14.947 -4.987 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.634 16.303 -6.030 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.674 18.043 -5.661 1.00 1.92 H new ATOM 0 HG23 THR A 124 18.939 17.321 -6.684 1.00 1.92 H new ATOM 559 N GLY A 125 20.174 19.737 -6.048 1.00 1.26 N ATOM 560 CA GLY A 125 20.723 20.319 -7.306 1.00 1.32 C ATOM 561 C GLY A 125 19.813 19.953 -8.477 1.00 1.26 C ATOM 562 O GLY A 125 20.258 19.797 -9.597 1.00 1.63 O ATOM 0 H GLY A 125 19.429 20.277 -5.608 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.798 21.403 -7.215 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.731 19.943 -7.484 1.00 1.32 H new ATOM 566 N GLU A 126 18.540 19.815 -8.229 1.00 1.02 N ATOM 567 CA GLU A 126 17.603 19.459 -9.331 1.00 1.08 C ATOM 568 C GLU A 126 17.543 20.590 -10.359 1.00 0.89 C ATOM 569 O GLU A 126 16.778 21.524 -10.225 1.00 0.87 O ATOM 570 CB GLU A 126 16.243 19.276 -8.655 1.00 1.34 C ATOM 571 CG GLU A 126 15.842 20.574 -7.953 1.00 1.45 C ATOM 572 CD GLU A 126 14.490 21.048 -8.491 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.634 20.208 -8.710 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.334 22.245 -8.674 1.00 2.09 O ATOM 0 H GLU A 126 18.109 19.933 -7.312 1.00 1.02 H new ATOM 0 HA GLU A 126 17.916 18.561 -9.864 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.491 19.004 -9.395 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.291 18.460 -7.934 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.781 20.414 -6.877 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.600 21.339 -8.119 1.00 1.45 H new ATOM 581 N THR A 127 18.337 20.509 -11.391 1.00 1.09 N ATOM 582 CA THR A 127 18.316 21.576 -12.430 1.00 1.21 C ATOM 583 C THR A 127 17.476 21.110 -13.617 1.00 1.29 C ATOM 584 O THR A 127 17.957 20.435 -14.506 1.00 1.60 O ATOM 585 CB THR A 127 19.776 21.763 -12.843 1.00 1.57 C ATOM 586 OG1 THR A 127 20.481 20.544 -12.651 1.00 1.91 O ATOM 587 CG2 THR A 127 20.412 22.863 -11.991 1.00 2.18 C ATOM 0 H THR A 127 18.998 19.751 -11.559 1.00 1.09 H new ATOM 0 HA THR A 127 17.882 22.508 -12.067 1.00 1.21 H new ATOM 0 HB THR A 127 19.823 22.048 -13.894 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.417 20.662 -12.917 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.453 22.996 -12.286 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.871 23.797 -12.140 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.366 22.581 -10.939 1.00 2.18 H new ATOM 595 N ILE A 128 16.220 21.452 -13.630 1.00 1.08 N ATOM 596 CA ILE A 128 15.344 21.018 -14.750 1.00 1.20 C ATOM 597 C ILE A 128 14.451 22.175 -15.207 1.00 1.18 C ATOM 598 O ILE A 128 14.163 23.084 -14.454 1.00 1.15 O ATOM 599 CB ILE A 128 14.510 19.884 -14.160 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.524 20.454 -13.138 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.434 18.880 -13.467 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.501 19.382 -12.762 1.00 2.03 C ATOM 0 H ILE A 128 15.762 22.014 -12.913 1.00 1.08 H new ATOM 0 HA ILE A 128 15.907 20.700 -15.627 1.00 1.20 H new ATOM 0 HB ILE A 128 13.960 19.385 -14.958 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.059 20.789 -12.249 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.017 21.325 -13.553 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.840 18.070 -13.045 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.139 18.474 -14.192 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.983 19.381 -12.669 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.799 19.788 -12.034 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.958 19.068 -13.654 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.015 18.524 -12.330 1.00 2.03 H new ATOM 614 N THR A 129 14.012 22.149 -16.436 1.00 1.34 N ATOM 615 CA THR A 129 13.140 23.249 -16.940 1.00 1.42 C ATOM 616 C THR A 129 11.767 23.194 -16.266 1.00 1.16 C ATOM 617 O THR A 129 11.495 22.331 -15.455 1.00 0.97 O ATOM 618 CB THR A 129 13.008 22.992 -18.441 1.00 1.64 C ATOM 619 OG1 THR A 129 12.294 24.063 -19.041 1.00 2.23 O ATOM 620 CG2 THR A 129 12.254 21.681 -18.672 1.00 2.28 C ATOM 0 H THR A 129 14.219 21.414 -17.113 1.00 1.34 H new ATOM 0 HA THR A 129 13.557 24.233 -16.727 1.00 1.42 H new ATOM 0 HB THR A 129 14.000 22.921 -18.887 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.210 23.901 -20.004 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.160 21.499 -19.743 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.802 20.860 -18.211 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.261 21.749 -18.227 1.00 2.28 H new ATOM 628 N GLU A 130 10.900 24.111 -16.597 1.00 1.31 N ATOM 629 CA GLU A 130 9.543 24.115 -15.979 1.00 1.28 C ATOM 630 C GLU A 130 8.762 22.872 -16.415 1.00 1.16 C ATOM 631 O GLU A 130 8.182 22.176 -15.605 1.00 1.21 O ATOM 632 CB GLU A 130 8.873 25.384 -16.509 1.00 1.69 C ATOM 633 CG GLU A 130 7.373 25.340 -16.205 1.00 2.05 C ATOM 634 CD GLU A 130 6.658 26.430 -17.005 1.00 2.43 C ATOM 635 OE1 GLU A 130 6.902 26.519 -18.197 1.00 2.70 O ATOM 636 OE2 GLU A 130 5.878 27.157 -16.413 1.00 3.03 O ATOM 0 H GLU A 130 11.072 24.859 -17.269 1.00 1.31 H new ATOM 0 HA GLU A 130 9.582 24.099 -14.890 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.322 26.264 -16.048 1.00 1.69 H new ATOM 0 HB3 GLU A 130 9.034 25.470 -17.584 1.00 1.69 H new ATOM 0 HG2 GLU A 130 6.968 24.361 -16.461 1.00 2.05 H new ATOM 0 HG3 GLU A 130 7.203 25.486 -15.138 1.00 2.05 H new ATOM 643 N ASP A 131 8.741 22.589 -17.689 1.00 1.18 N ATOM 644 CA ASP A 131 7.996 21.393 -18.176 1.00 1.19 C ATOM 645 C ASP A 131 8.325 20.176 -17.308 1.00 1.07 C ATOM 646 O ASP A 131 7.477 19.352 -17.031 1.00 1.14 O ATOM 647 CB ASP A 131 8.488 21.178 -19.608 1.00 1.44 C ATOM 648 CG ASP A 131 7.721 20.017 -20.243 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.514 20.133 -20.379 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.354 19.031 -20.583 1.00 2.07 O ATOM 0 H ASP A 131 9.208 23.134 -18.414 1.00 1.18 H new ATOM 0 HA ASP A 131 6.916 21.532 -18.132 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.344 22.086 -20.193 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.557 20.965 -19.608 1.00 1.44 H new ATOM 655 N ASP A 132 9.551 20.058 -16.879 1.00 1.00 N ATOM 656 CA ASP A 132 9.936 18.894 -16.029 1.00 1.03 C ATOM 657 C ASP A 132 9.262 18.991 -14.657 1.00 0.88 C ATOM 658 O ASP A 132 9.191 18.028 -13.921 1.00 1.03 O ATOM 659 CB ASP A 132 11.456 18.995 -15.887 1.00 1.13 C ATOM 660 CG ASP A 132 12.122 18.554 -17.192 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.432 18.494 -18.196 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.311 18.283 -17.164 1.00 1.99 O ATOM 0 H ASP A 132 10.304 20.717 -17.080 1.00 1.00 H new ATOM 0 HA ASP A 132 9.628 17.944 -16.466 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.742 20.019 -15.649 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.797 18.369 -15.063 1.00 1.13 H new ATOM 667 N ILE A 133 8.768 20.148 -14.308 1.00 0.75 N ATOM 668 CA ILE A 133 8.101 20.307 -12.983 1.00 0.77 C ATOM 669 C ILE A 133 6.666 19.774 -13.040 1.00 0.70 C ATOM 670 O ILE A 133 6.253 18.986 -12.211 1.00 0.82 O ATOM 671 CB ILE A 133 8.101 21.814 -12.720 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.531 22.350 -12.820 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.552 22.089 -11.319 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.380 21.757 -11.694 1.00 1.00 C ATOM 0 H ILE A 133 8.797 20.990 -14.883 1.00 0.75 H new ATOM 0 HA ILE A 133 8.613 19.753 -12.196 1.00 0.77 H new ATOM 0 HB ILE A 133 7.473 22.310 -13.460 1.00 0.87 H new ATOM 0 HG12 ILE A 133 9.960 22.091 -13.788 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.528 23.438 -12.753 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.552 23.163 -11.132 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.533 21.708 -11.246 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.179 21.592 -10.579 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.398 22.139 -11.766 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.954 22.038 -10.731 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.393 20.671 -11.782 1.00 1.00 H new ATOM 686 N GLU A 134 5.903 20.198 -14.009 1.00 0.61 N ATOM 687 CA GLU A 134 4.495 19.718 -14.115 1.00 0.64 C ATOM 688 C GLU A 134 4.453 18.187 -14.120 1.00 0.64 C ATOM 689 O GLU A 134 3.539 17.580 -13.597 1.00 0.76 O ATOM 690 CB GLU A 134 3.987 20.272 -15.447 1.00 0.73 C ATOM 691 CG GLU A 134 4.068 21.800 -15.429 1.00 0.89 C ATOM 692 CD GLU A 134 2.860 22.386 -16.162 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.806 21.774 -16.109 1.00 1.86 O ATOM 694 OE2 GLU A 134 3.010 23.436 -16.765 1.00 1.87 O ATOM 0 H GLU A 134 6.193 20.856 -14.732 1.00 0.61 H new ATOM 0 HA GLU A 134 3.884 20.048 -13.275 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.583 19.875 -16.269 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.958 19.954 -15.617 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.093 22.161 -14.401 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.991 22.131 -15.905 1.00 0.89 H new ATOM 701 N GLU A 135 5.433 17.557 -14.708 1.00 0.59 N ATOM 702 CA GLU A 135 5.445 16.066 -14.746 1.00 0.67 C ATOM 703 C GLU A 135 5.103 15.495 -13.367 1.00 0.74 C ATOM 704 O GLU A 135 4.296 14.595 -13.239 1.00 0.91 O ATOM 705 CB GLU A 135 6.874 15.690 -15.139 1.00 0.72 C ATOM 706 CG GLU A 135 7.262 16.424 -16.424 1.00 1.16 C ATOM 707 CD GLU A 135 8.417 15.686 -17.103 1.00 1.56 C ATOM 708 OE1 GLU A 135 9.426 15.477 -16.449 1.00 2.03 O ATOM 709 OE2 GLU A 135 8.273 15.342 -18.264 1.00 2.29 O ATOM 0 H GLU A 135 6.226 18.009 -15.164 1.00 0.59 H new ATOM 0 HA GLU A 135 4.710 15.668 -15.445 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.564 15.951 -14.336 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.950 14.613 -15.286 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.406 16.479 -17.097 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.555 17.449 -16.196 1.00 1.16 H new ATOM 716 N LEU A 136 5.714 16.007 -12.334 1.00 0.73 N ATOM 717 CA LEU A 136 5.427 15.491 -10.965 1.00 0.87 C ATOM 718 C LEU A 136 4.101 16.054 -10.448 1.00 0.81 C ATOM 719 O LEU A 136 3.320 15.360 -9.829 1.00 1.00 O ATOM 720 CB LEU A 136 6.590 15.987 -10.105 1.00 0.99 C ATOM 721 CG LEU A 136 7.887 15.320 -10.565 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.002 16.364 -10.641 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.280 14.229 -9.567 1.00 1.75 C ATOM 0 H LEU A 136 6.400 16.761 -12.379 1.00 0.73 H new ATOM 0 HA LEU A 136 5.336 14.405 -10.946 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.678 17.071 -10.184 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.403 15.758 -9.056 1.00 0.99 H new ATOM 0 HG LEU A 136 7.737 14.878 -11.550 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.925 15.887 -10.969 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.724 17.143 -11.351 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.153 16.808 -9.657 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.204 13.753 -9.894 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.429 14.673 -8.583 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.487 13.483 -9.513 1.00 1.75 H new ATOM 735 N MET A 137 3.842 17.309 -10.694 1.00 0.67 N ATOM 736 CA MET A 137 2.569 17.916 -10.212 1.00 0.71 C ATOM 737 C MET A 137 1.371 17.279 -10.924 1.00 0.68 C ATOM 738 O MET A 137 0.244 17.396 -10.486 1.00 0.70 O ATOM 739 CB MET A 137 2.680 19.399 -10.569 1.00 0.82 C ATOM 740 CG MET A 137 2.468 20.244 -9.311 1.00 0.99 C ATOM 741 SD MET A 137 0.880 21.106 -9.424 1.00 0.94 S ATOM 742 CE MET A 137 0.718 21.515 -7.668 1.00 0.53 C ATOM 0 H MET A 137 4.457 17.940 -11.208 1.00 0.67 H new ATOM 0 HA MET A 137 2.417 17.763 -9.144 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.659 19.608 -11.000 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.938 19.659 -11.324 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.487 19.609 -8.426 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.278 20.965 -9.203 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.218 22.478 -7.563 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.131 20.745 -7.168 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.708 21.569 -7.214 1.00 0.53 H new ATOM 752 N LYS A 138 1.604 16.605 -12.018 1.00 0.76 N ATOM 753 CA LYS A 138 0.472 15.965 -12.751 1.00 0.82 C ATOM 754 C LYS A 138 -0.207 14.918 -11.865 1.00 0.72 C ATOM 755 O LYS A 138 -1.416 14.802 -11.842 1.00 0.84 O ATOM 756 CB LYS A 138 1.109 15.302 -13.972 1.00 0.99 C ATOM 757 CG LYS A 138 0.843 16.156 -15.214 1.00 1.57 C ATOM 758 CD LYS A 138 0.499 15.249 -16.397 1.00 2.09 C ATOM 759 CE LYS A 138 0.358 16.094 -17.665 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.996 16.706 -17.571 1.00 3.43 N ATOM 0 H LYS A 138 2.525 16.470 -12.435 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.294 16.687 -13.035 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.182 15.188 -13.819 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.699 14.302 -14.111 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.023 16.848 -15.023 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.721 16.759 -15.448 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.278 14.499 -16.532 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.429 14.713 -16.200 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.134 16.858 -17.719 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.453 15.480 -18.561 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -1.591 16.354 -18.348 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.430 16.451 -16.661 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.915 17.741 -17.638 1.00 3.43 H new ATOM 774 N ASP A 139 0.559 14.156 -11.133 1.00 0.75 N ATOM 775 CA ASP A 139 -0.051 13.121 -10.250 1.00 0.78 C ATOM 776 C ASP A 139 -0.471 13.751 -8.920 1.00 0.70 C ATOM 777 O ASP A 139 -1.536 13.478 -8.402 1.00 0.81 O ATOM 778 CB ASP A 139 1.049 12.083 -10.030 1.00 0.97 C ATOM 779 CG ASP A 139 1.023 11.064 -11.172 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.407 11.427 -12.272 1.00 1.66 O ATOM 781 OD2 ASP A 139 0.619 9.939 -10.927 1.00 1.69 O ATOM 0 H ASP A 139 1.578 14.205 -11.108 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.943 12.675 -10.689 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.022 12.572 -9.987 1.00 0.97 H new ATOM 0 HB3 ASP A 139 0.903 11.579 -9.075 1.00 0.97 H new ATOM 786 N GLY A 140 0.353 14.597 -8.366 1.00 0.64 N ATOM 787 CA GLY A 140 -0.007 15.245 -7.074 1.00 0.62 C ATOM 788 C GLY A 140 -1.179 16.200 -7.299 1.00 0.57 C ATOM 789 O GLY A 140 -1.863 16.591 -6.374 1.00 0.65 O ATOM 0 H GLY A 140 1.258 14.867 -8.751 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.275 14.489 -6.337 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.849 15.789 -6.675 1.00 0.62 H new ATOM 793 N ASP A 141 -1.417 16.579 -8.526 1.00 0.56 N ATOM 794 CA ASP A 141 -2.546 17.510 -8.815 1.00 0.56 C ATOM 795 C ASP A 141 -3.315 17.036 -10.051 1.00 0.58 C ATOM 796 O ASP A 141 -3.701 17.822 -10.894 1.00 0.64 O ATOM 797 CB ASP A 141 -1.884 18.862 -9.080 1.00 0.60 C ATOM 798 CG ASP A 141 -2.105 19.784 -7.879 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.540 19.291 -6.851 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.836 20.967 -8.007 1.00 1.23 O ATOM 0 H ASP A 141 -0.879 16.284 -9.341 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.262 17.561 -7.995 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.817 18.728 -9.257 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.302 19.313 -9.980 1.00 0.60 H new ATOM 805 N LYS A 142 -3.543 15.756 -10.167 1.00 0.62 N ATOM 806 CA LYS A 142 -4.287 15.235 -11.350 1.00 0.70 C ATOM 807 C LYS A 142 -5.560 16.056 -11.573 1.00 0.79 C ATOM 808 O LYS A 142 -5.993 16.257 -12.690 1.00 0.92 O ATOM 809 CB LYS A 142 -4.636 13.790 -10.993 1.00 0.79 C ATOM 810 CG LYS A 142 -3.661 12.840 -11.690 1.00 0.88 C ATOM 811 CD LYS A 142 -4.436 11.675 -12.310 1.00 1.37 C ATOM 812 CE LYS A 142 -4.855 12.042 -13.735 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.609 10.857 -14.230 1.00 2.44 N ATOM 0 H LYS A 142 -3.247 15.049 -9.494 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.703 15.297 -12.268 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.587 13.650 -9.913 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.658 13.566 -11.298 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.107 13.373 -12.462 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.929 12.464 -10.975 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.817 10.778 -12.321 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.316 11.448 -11.708 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.476 12.938 -13.746 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.987 12.248 -14.361 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.930 11.032 -15.204 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.991 10.021 -14.214 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.433 10.690 -13.618 1.00 2.44 H new ATOM 827 N ASN A 143 -6.160 16.532 -10.517 1.00 0.80 N ATOM 828 CA ASN A 143 -7.402 17.342 -10.668 1.00 0.95 C ATOM 829 C ASN A 143 -7.062 18.733 -11.210 1.00 0.92 C ATOM 830 O ASN A 143 -7.920 19.458 -11.670 1.00 1.08 O ATOM 831 CB ASN A 143 -7.983 17.440 -9.257 1.00 1.07 C ATOM 832 CG ASN A 143 -8.103 16.038 -8.657 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.837 15.210 -9.161 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.409 15.733 -7.595 1.00 1.70 N ATOM 0 H ASN A 143 -5.844 16.395 -9.557 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.107 16.894 -11.368 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.343 18.062 -8.631 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.962 17.919 -9.287 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.482 14.801 -7.188 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.793 16.427 -7.172 1.00 1.70 H new ATOM 841 N ASN A 144 -5.812 19.108 -11.161 1.00 0.86 N ATOM 842 CA ASN A 144 -5.414 20.452 -11.674 1.00 0.93 C ATOM 843 C ASN A 144 -6.011 21.554 -10.794 1.00 1.03 C ATOM 844 O ASN A 144 -6.429 22.587 -11.278 1.00 1.71 O ATOM 845 CB ASN A 144 -5.991 20.524 -13.088 1.00 1.08 C ATOM 846 CG ASN A 144 -4.995 21.228 -14.012 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.293 22.268 -14.566 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.817 20.702 -14.205 1.00 1.97 N ATOM 0 H ASN A 144 -5.049 18.543 -10.788 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.333 20.592 -11.667 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.200 19.520 -13.458 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.938 21.064 -13.078 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.147 21.163 -14.820 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.566 19.829 -13.741 1.00 1.97 H new ATOM 855 N ASP A 145 -6.055 21.345 -9.507 1.00 0.88 N ATOM 856 CA ASP A 145 -6.627 22.386 -8.604 1.00 0.92 C ATOM 857 C ASP A 145 -5.515 23.297 -8.076 1.00 0.91 C ATOM 858 O ASP A 145 -5.761 24.230 -7.338 1.00 1.07 O ATOM 859 CB ASP A 145 -7.272 21.606 -7.458 1.00 0.93 C ATOM 860 CG ASP A 145 -6.199 20.809 -6.715 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.209 20.463 -7.338 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.385 20.559 -5.535 1.00 1.89 O ATOM 0 H ASP A 145 -5.721 20.501 -9.042 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.346 23.027 -9.115 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.770 22.292 -6.773 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -8.036 20.933 -7.847 1.00 0.93 H new ATOM 867 N GLY A 146 -4.293 23.034 -8.450 1.00 0.84 N ATOM 868 CA GLY A 146 -3.167 23.885 -7.972 1.00 0.92 C ATOM 869 C GLY A 146 -2.863 23.560 -6.508 1.00 0.66 C ATOM 870 O GLY A 146 -2.046 24.202 -5.878 1.00 0.74 O ATOM 0 H GLY A 146 -4.026 22.266 -9.066 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.282 23.712 -8.585 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.425 24.939 -8.075 1.00 0.92 H new ATOM 874 N ARG A 147 -3.512 22.569 -5.961 1.00 0.56 N ATOM 875 CA ARG A 147 -3.254 22.209 -4.537 1.00 0.54 C ATOM 876 C ARG A 147 -3.000 20.704 -4.411 1.00 0.46 C ATOM 877 O ARG A 147 -3.737 19.895 -4.938 1.00 0.45 O ATOM 878 CB ARG A 147 -4.528 22.602 -3.789 1.00 0.77 C ATOM 879 CG ARG A 147 -4.777 24.102 -3.955 1.00 1.39 C ATOM 880 CD ARG A 147 -4.545 24.806 -2.616 1.00 1.79 C ATOM 881 NE ARG A 147 -4.781 26.250 -2.893 1.00 2.55 N ATOM 882 CZ ARG A 147 -4.310 27.160 -2.082 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.623 26.808 -1.028 1.00 3.10 N ATOM 884 NH2 ARG A 147 -4.525 28.423 -2.326 1.00 3.37 N ATOM 0 H ARG A 147 -4.208 21.994 -6.436 1.00 0.56 H new ATOM 0 HA ARG A 147 -2.376 22.715 -4.136 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -5.377 22.037 -4.174 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.433 22.353 -2.732 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.110 24.511 -4.714 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -5.796 24.277 -4.299 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.227 24.434 -1.851 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.533 24.635 -2.250 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.312 26.530 -3.718 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.453 25.821 -0.836 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -3.257 27.520 -0.397 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -5.060 28.700 -3.149 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -4.158 29.134 -1.694 1.00 3.37 H new ATOM 898 N ILE A 148 -1.962 20.325 -3.718 1.00 0.49 N ATOM 899 CA ILE A 148 -1.661 18.873 -3.561 1.00 0.44 C ATOM 900 C ILE A 148 -1.882 18.437 -2.110 1.00 0.46 C ATOM 901 O ILE A 148 -1.017 18.582 -1.268 1.00 0.63 O ATOM 902 CB ILE A 148 -0.189 18.734 -3.946 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.024 19.310 -5.348 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.203 17.256 -3.939 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.523 19.455 -5.621 1.00 0.63 C ATOM 0 H ILE A 148 -1.309 20.957 -3.254 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.306 18.248 -4.178 1.00 0.44 H new ATOM 0 HB ILE A 148 0.428 19.276 -3.230 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.430 18.657 -6.093 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.467 20.280 -5.432 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.253 17.157 -4.214 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.048 16.843 -2.942 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.412 16.713 -4.656 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.673 19.865 -6.620 1.00 0.63 H new ATOM 0 HD12 ILE A 148 1.964 20.125 -4.883 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.001 18.478 -5.555 1.00 0.63 H new ATOM 917 N ASP A 149 -3.034 17.901 -1.811 1.00 0.48 N ATOM 918 CA ASP A 149 -3.310 17.453 -0.415 1.00 0.53 C ATOM 919 C ASP A 149 -2.643 16.101 -0.152 1.00 0.53 C ATOM 920 O ASP A 149 -2.273 15.392 -1.067 1.00 0.63 O ATOM 921 CB ASP A 149 -4.832 17.326 -0.335 1.00 0.58 C ATOM 922 CG ASP A 149 -5.319 16.342 -1.399 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.494 15.619 -1.933 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.510 16.328 -1.664 1.00 1.84 O ATOM 0 H ASP A 149 -3.796 17.754 -2.473 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.919 18.148 0.328 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.127 16.982 0.656 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.297 18.300 -0.485 1.00 0.58 H new ATOM 929 N TYR A 150 -2.487 15.737 1.092 1.00 0.58 N ATOM 930 CA TYR A 150 -1.843 14.430 1.409 1.00 0.60 C ATOM 931 C TYR A 150 -2.555 13.297 0.668 1.00 0.59 C ATOM 932 O TYR A 150 -1.938 12.353 0.215 1.00 0.63 O ATOM 933 CB TYR A 150 -2.001 14.263 2.920 1.00 0.73 C ATOM 934 CG TYR A 150 -1.661 12.843 3.306 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.322 12.445 3.404 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.684 11.924 3.568 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.006 11.129 3.762 1.00 1.43 C ATOM 938 CE2 TYR A 150 -2.369 10.608 3.926 1.00 1.56 C ATOM 939 CZ TYR A 150 -1.029 10.211 4.024 1.00 1.48 C ATOM 940 OH TYR A 150 -0.718 8.914 4.376 1.00 1.96 O ATOM 0 H TYR A 150 -2.777 16.287 1.901 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.797 14.402 1.104 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.348 14.960 3.444 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.023 14.498 3.218 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.468 13.154 3.203 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -3.717 12.231 3.494 1.00 1.22 H new ATOM 0 HE1 TYR A 150 1.027 10.822 3.836 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -3.159 9.899 4.127 1.00 1.56 H new ATOM 0 HH TYR A 150 -1.544 8.408 4.524 1.00 1.96 H new ATOM 950 N ASP A 151 -3.851 13.382 0.540 1.00 0.64 N ATOM 951 CA ASP A 151 -4.600 12.308 -0.173 1.00 0.70 C ATOM 952 C ASP A 151 -3.982 12.060 -1.552 1.00 0.63 C ATOM 953 O ASP A 151 -3.880 10.937 -2.004 1.00 0.77 O ATOM 954 CB ASP A 151 -6.025 12.844 -0.313 1.00 0.79 C ATOM 955 CG ASP A 151 -6.984 11.681 -0.571 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.521 10.645 -1.019 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.166 11.846 -0.317 1.00 1.90 O ATOM 0 H ASP A 151 -4.423 14.147 0.898 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.573 11.359 0.363 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.316 13.375 0.593 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.077 13.561 -1.133 1.00 0.79 H new ATOM 962 N GLU A 152 -3.570 13.101 -2.224 1.00 0.54 N ATOM 963 CA GLU A 152 -2.960 12.923 -3.573 1.00 0.56 C ATOM 964 C GLU A 152 -1.462 12.633 -3.443 1.00 0.52 C ATOM 965 O GLU A 152 -0.841 12.109 -4.346 1.00 0.65 O ATOM 966 CB GLU A 152 -3.186 14.253 -4.291 1.00 0.60 C ATOM 967 CG GLU A 152 -4.683 14.560 -4.338 1.00 0.77 C ATOM 968 CD GLU A 152 -4.891 16.066 -4.504 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.960 16.806 -4.230 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.976 16.454 -4.903 1.00 1.40 O ATOM 0 H GLU A 152 -3.629 14.066 -1.898 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.400 12.087 -4.116 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.656 15.052 -3.773 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.782 14.206 -5.302 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.149 14.025 -5.165 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.165 14.214 -3.423 1.00 0.77 H new ATOM 977 N PHE A 153 -0.878 12.972 -2.326 1.00 0.46 N ATOM 978 CA PHE A 153 0.578 12.715 -2.140 1.00 0.46 C ATOM 979 C PHE A 153 0.860 11.212 -2.203 1.00 0.50 C ATOM 980 O PHE A 153 1.953 10.788 -2.522 1.00 0.64 O ATOM 981 CB PHE A 153 0.905 13.267 -0.752 1.00 0.49 C ATOM 982 CG PHE A 153 2.395 13.483 -0.636 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.019 14.486 -1.389 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.152 12.680 0.224 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.401 14.685 -1.280 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.534 12.879 0.333 1.00 0.61 C ATOM 987 CZ PHE A 153 5.158 13.881 -0.419 1.00 0.68 C ATOM 0 H PHE A 153 -1.346 13.415 -1.535 1.00 0.46 H new ATOM 0 HA PHE A 153 1.183 13.184 -2.916 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.377 14.206 -0.588 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.566 12.572 0.017 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.435 15.105 -2.053 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.671 11.907 0.804 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.883 15.458 -1.860 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.118 12.259 0.997 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.224 14.034 -0.335 1.00 0.68 H new ATOM 997 N LEU A 154 -0.120 10.401 -1.906 1.00 0.53 N ATOM 998 CA LEU A 154 0.095 8.927 -1.956 1.00 0.62 C ATOM 999 C LEU A 154 0.261 8.477 -3.408 1.00 0.65 C ATOM 1000 O LEU A 154 1.306 8.002 -3.806 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.166 8.317 -1.343 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.933 8.059 0.147 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.157 6.999 0.318 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.490 9.358 0.824 1.00 1.20 C ATOM 0 H LEU A 154 -1.057 10.695 -1.632 1.00 0.53 H new ATOM 0 HA LEU A 154 0.992 8.619 -1.419 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.012 8.991 -1.479 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.416 7.385 -1.850 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.858 7.706 0.604 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.323 6.815 1.380 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.156 6.074 -0.166 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.082 7.352 -0.138 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.323 9.176 1.886 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.435 9.710 0.367 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.265 10.114 0.703 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.760 8.631 -4.206 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.655 8.221 -5.634 1.00 0.81 C ATOM 1018 C GLU A 155 0.476 8.998 -6.310 1.00 0.76 C ATOM 1019 O GLU A 155 0.994 8.601 -7.335 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.005 8.586 -6.254 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.174 10.107 -6.252 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.357 10.492 -7.144 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.836 9.630 -7.862 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.763 11.641 -7.093 1.00 2.77 O ATOM 0 H GLU A 155 -1.661 9.022 -3.931 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.433 7.160 -5.750 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.064 8.204 -7.273 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.813 8.119 -5.692 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.341 10.463 -5.235 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.263 10.585 -6.612 1.00 1.41 H new ATOM 1031 N PHE A 156 0.864 10.105 -5.736 1.00 0.66 N ATOM 1032 CA PHE A 156 1.963 10.915 -6.335 1.00 0.77 C ATOM 1033 C PHE A 156 3.299 10.185 -6.179 1.00 0.71 C ATOM 1034 O PHE A 156 3.972 9.889 -7.147 1.00 0.88 O ATOM 1035 CB PHE A 156 1.969 12.220 -5.539 1.00 0.84 C ATOM 1036 CG PHE A 156 3.222 13.000 -5.856 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.414 12.718 -5.176 1.00 1.09 C ATOM 1038 CD2 PHE A 156 3.193 14.006 -6.829 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.575 13.441 -5.470 1.00 1.31 C ATOM 1040 CE2 PHE A 156 4.355 14.730 -7.122 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.546 14.447 -6.443 1.00 1.53 C ATOM 0 H PHE A 156 0.466 10.484 -4.876 1.00 0.66 H new ATOM 0 HA PHE A 156 1.818 11.088 -7.401 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.088 12.812 -5.785 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.921 12.007 -4.471 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.437 11.942 -4.425 1.00 1.09 H new ATOM 0 HD2 PHE A 156 2.274 14.224 -7.354 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.494 13.223 -4.946 1.00 1.31 H new ATOM 0 HE2 PHE A 156 4.332 15.507 -7.872 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.443 15.005 -6.670 1.00 1.53 H new ATOM 1051 N MET A 157 3.687 9.890 -4.969 1.00 0.61 N ATOM 1052 CA MET A 157 4.979 9.179 -4.755 1.00 0.69 C ATOM 1053 C MET A 157 4.989 7.863 -5.539 1.00 0.83 C ATOM 1054 O MET A 157 6.022 7.399 -5.979 1.00 1.17 O ATOM 1055 CB MET A 157 5.039 8.913 -3.251 1.00 0.84 C ATOM 1056 CG MET A 157 5.105 10.245 -2.501 1.00 0.92 C ATOM 1057 SD MET A 157 6.577 11.161 -3.023 1.00 1.56 S ATOM 1058 CE MET A 157 7.806 10.046 -2.303 1.00 0.90 C ATOM 0 H MET A 157 3.166 10.110 -4.120 1.00 0.61 H new ATOM 0 HA MET A 157 5.836 9.759 -5.098 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.162 8.348 -2.935 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.912 8.305 -3.013 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.209 10.832 -2.701 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.136 10.068 -1.426 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.713 10.604 -2.073 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.408 9.608 -1.388 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.038 9.253 -3.014 1.00 0.90 H new ATOM 1068 N LYS A 158 3.845 7.263 -5.722 1.00 0.86 N ATOM 1069 CA LYS A 158 3.787 5.981 -6.483 1.00 1.07 C ATOM 1070 C LYS A 158 3.534 6.263 -7.966 1.00 1.36 C ATOM 1071 O LYS A 158 2.834 5.531 -8.638 1.00 1.73 O ATOM 1072 CB LYS A 158 2.614 5.210 -5.875 1.00 1.28 C ATOM 1073 CG LYS A 158 3.140 3.988 -5.119 1.00 1.66 C ATOM 1074 CD LYS A 158 2.013 2.966 -4.950 1.00 2.24 C ATOM 1075 CE LYS A 158 1.402 3.106 -3.553 1.00 2.85 C ATOM 1076 NZ LYS A 158 2.060 2.048 -2.737 1.00 3.52 N ATOM 0 H LYS A 158 2.947 7.604 -5.378 1.00 0.86 H new ATOM 0 HA LYS A 158 4.718 5.418 -6.419 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.053 5.855 -5.199 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.926 4.896 -6.660 1.00 1.28 H new ATOM 0 HG2 LYS A 158 3.972 3.541 -5.664 1.00 1.66 H new ATOM 0 HG3 LYS A 158 3.522 4.288 -4.143 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.248 3.123 -5.710 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.399 1.956 -5.090 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.588 4.097 -3.138 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.321 2.969 -3.579 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 1.692 2.081 -1.765 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 1.860 1.115 -3.152 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 3.088 2.208 -2.724 1.00 3.52 H new