USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 387 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.46) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.89) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= -0.0773 (180deg=-0.455) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 74:sc= 0.103 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 89 10.196 8.739 0.573 1.00 0.00 N ATOM 21 CA ASP A 89 11.334 7.845 0.399 1.00 0.00 C ATOM 22 C ASP A 89 10.907 6.545 -0.275 1.00 0.00 C ATOM 23 O ASP A 89 9.839 6.005 0.015 1.00 0.00 O ATOM 24 CB ASP A 89 11.985 7.542 1.749 1.00 0.00 C ATOM 25 CG ASP A 89 11.973 8.740 2.679 1.00 0.00 C ATOM 26 OD1 ASP A 89 10.944 8.959 3.350 1.00 0.00 O ATOM 27 OD2 ASP A 89 12.993 9.459 2.733 1.00 0.00 O ATOM 0 HA ASP A 89 12.060 8.345 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.462 6.712 2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.014 7.220 1.589 1.00 0.00 H new ATOM 32 N VAL A 90 11.746 6.049 -1.179 1.00 0.00 N ATOM 33 CA VAL A 90 11.455 4.813 -1.896 1.00 0.00 C ATOM 34 C VAL A 90 11.399 3.625 -0.942 1.00 0.00 C ATOM 35 O VAL A 90 10.630 2.685 -1.148 1.00 0.00 O ATOM 36 CB VAL A 90 12.508 4.534 -2.984 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.152 3.276 -3.762 1.00 0.00 C ATOM 38 CG2 VAL A 90 12.638 5.728 -3.917 1.00 0.00 C ATOM 0 H VAL A 90 12.633 6.484 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 90 10.481 4.943 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 90 13.471 4.373 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.908 3.095 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.114 2.426 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.179 3.405 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.386 5.514 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 90 11.678 5.922 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.943 6.605 -3.346 1.00 0.00 H new ATOM 48 N LEU A 91 12.217 3.674 0.104 1.00 0.00 N ATOM 49 CA LEU A 91 12.261 2.601 1.091 1.00 0.00 C ATOM 50 C LEU A 91 11.011 2.615 1.965 1.00 0.00 C ATOM 51 O LEU A 91 10.465 1.564 2.302 1.00 0.00 O ATOM 52 CB LEU A 91 13.509 2.736 1.964 1.00 0.00 C ATOM 53 CG LEU A 91 13.749 1.610 2.970 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.239 1.362 3.148 1.00 0.00 C ATOM 55 CD2 LEU A 91 13.099 1.941 4.306 1.00 0.00 C ATOM 0 H LEU A 91 12.858 4.445 0.290 1.00 0.00 H new ATOM 0 HA LEU A 91 12.299 1.651 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.379 2.804 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.446 3.677 2.510 1.00 0.00 H new ATOM 0 HG LEU A 91 13.293 0.699 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.391 0.557 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.678 1.080 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 91 15.718 2.270 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.280 1.129 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.525 2.864 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.025 2.068 4.167 1.00 0.00 H new ATOM 67 N ARG A 92 10.561 3.812 2.327 1.00 0.00 N ATOM 68 CA ARG A 92 9.375 3.962 3.161 1.00 0.00 C ATOM 69 C ARG A 92 8.131 3.462 2.432 1.00 0.00 C ATOM 70 O ARG A 92 7.232 2.885 3.043 1.00 0.00 O ATOM 71 CB ARG A 92 9.190 5.427 3.562 1.00 0.00 C ATOM 72 CG ARG A 92 7.981 5.667 4.451 1.00 0.00 C ATOM 73 CD ARG A 92 7.684 7.151 4.600 1.00 0.00 C ATOM 74 NE ARG A 92 7.420 7.520 5.988 1.00 0.00 N ATOM 75 CZ ARG A 92 8.369 7.642 6.909 1.00 0.00 C ATOM 76 NH1 ARG A 92 9.638 7.426 6.591 1.00 0.00 N ATOM 77 NH2 ARG A 92 8.050 7.982 8.152 1.00 0.00 N ATOM 0 H ARG A 92 11.000 4.692 2.056 1.00 0.00 H new ATOM 0 HA ARG A 92 9.515 3.361 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.086 5.769 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.093 6.032 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.112 5.162 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.158 5.230 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.529 7.729 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.822 7.412 3.986 1.00 0.00 H new ATOM 0 HE ARG A 92 6.454 7.694 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.887 7.165 5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.365 7.520 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.075 8.150 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.780 8.075 8.858 1.00 0.00 H new ATOM 91 N ALA A 93 8.088 3.687 1.123 1.00 0.00 N ATOM 92 CA ALA A 93 6.956 3.258 0.312 1.00 0.00 C ATOM 93 C ALA A 93 7.020 1.761 0.030 1.00 0.00 C ATOM 94 O ALA A 93 5.994 1.081 -0.007 1.00 0.00 O ATOM 95 CB ALA A 93 6.913 4.042 -0.990 1.00 0.00 C ATOM 0 H ALA A 93 8.824 4.164 0.602 1.00 0.00 H new ATOM 0 HA ALA A 93 6.042 3.457 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.062 3.711 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.811 5.105 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.834 3.873 -1.547 1.00 0.00 H new ATOM 101 N LYS A 94 8.231 1.253 -0.173 1.00 0.00 N ATOM 102 CA LYS A 94 8.430 -0.164 -0.452 1.00 0.00 C ATOM 103 C LYS A 94 7.946 -1.022 0.712 1.00 0.00 C ATOM 104 O LYS A 94 7.195 -1.978 0.521 1.00 0.00 O ATOM 105 CB LYS A 94 9.908 -0.448 -0.729 1.00 0.00 C ATOM 106 CG LYS A 94 10.185 -1.884 -1.138 1.00 0.00 C ATOM 107 CD LYS A 94 11.586 -2.042 -1.704 1.00 0.00 C ATOM 108 CE LYS A 94 12.521 -2.702 -0.703 1.00 0.00 C ATOM 109 NZ LYS A 94 12.775 -4.131 -1.037 1.00 0.00 N ATOM 0 H LYS A 94 9.090 1.802 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 94 7.845 -0.420 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.256 0.219 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.488 -0.215 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.064 -2.539 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.453 -2.199 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.546 -2.639 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.980 -1.064 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.467 -2.161 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.090 -2.634 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.417 -4.544 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.876 -4.653 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.210 -4.195 -1.979 1.00 0.00 H new ATOM 123 N ALA A 95 8.381 -0.673 1.918 1.00 0.00 N ATOM 124 CA ALA A 95 7.990 -1.409 3.114 1.00 0.00 C ATOM 125 C ALA A 95 6.480 -1.358 3.320 1.00 0.00 C ATOM 126 O ALA A 95 5.844 -2.380 3.578 1.00 0.00 O ATOM 127 CB ALA A 95 8.710 -0.855 4.334 1.00 0.00 C ATOM 0 H ALA A 95 9.005 0.115 2.093 1.00 0.00 H new ATOM 0 HA ALA A 95 8.277 -2.452 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.408 -1.414 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.787 -0.949 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.451 0.196 4.463 1.00 0.00 H new ATOM 133 N ALA A 96 5.912 -0.162 3.205 1.00 0.00 N ATOM 134 CA ALA A 96 4.476 0.021 3.378 1.00 0.00 C ATOM 135 C ALA A 96 3.690 -0.855 2.408 1.00 0.00 C ATOM 136 O ALA A 96 2.638 -1.393 2.753 1.00 0.00 O ATOM 137 CB ALA A 96 4.104 1.485 3.190 1.00 0.00 C ATOM 0 H ALA A 96 6.424 0.694 2.993 1.00 0.00 H new ATOM 0 HA ALA A 96 4.216 -0.281 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.029 1.607 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.631 2.092 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.385 1.806 2.187 1.00 0.00 H new ATOM 143 N LYS A 97 4.206 -0.993 1.192 1.00 0.00 N ATOM 144 CA LYS A 97 3.554 -1.804 0.171 1.00 0.00 C ATOM 145 C LYS A 97 3.654 -3.288 0.509 1.00 0.00 C ATOM 146 O LYS A 97 2.717 -4.051 0.275 1.00 0.00 O ATOM 147 CB LYS A 97 4.182 -1.539 -1.198 1.00 0.00 C ATOM 148 CG LYS A 97 3.365 -2.081 -2.358 1.00 0.00 C ATOM 149 CD LYS A 97 4.086 -1.898 -3.682 1.00 0.00 C ATOM 150 CE LYS A 97 3.850 -0.510 -4.259 1.00 0.00 C ATOM 151 NZ LYS A 97 5.063 0.347 -4.155 1.00 0.00 N ATOM 0 H LYS A 97 5.075 -0.553 0.889 1.00 0.00 H new ATOM 0 HA LYS A 97 2.500 -1.526 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.312 -0.464 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.176 -1.986 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.161 -3.140 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.401 -1.573 -2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.155 -2.057 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.743 -2.651 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.555 -0.597 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.023 -0.034 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.862 1.284 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.330 0.451 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.846 -0.094 -4.678 1.00 0.00 H new ATOM 165 N GLU A 98 4.795 -3.690 1.060 1.00 0.00 N ATOM 166 CA GLU A 98 5.015 -5.083 1.431 1.00 0.00 C ATOM 167 C GLU A 98 4.000 -5.534 2.477 1.00 0.00 C ATOM 168 O GLU A 98 3.371 -6.583 2.335 1.00 0.00 O ATOM 169 CB GLU A 98 6.436 -5.273 1.966 1.00 0.00 C ATOM 170 CG GLU A 98 7.077 -6.583 1.539 1.00 0.00 C ATOM 171 CD GLU A 98 7.782 -6.478 0.202 1.00 0.00 C ATOM 172 OE1 GLU A 98 8.477 -5.467 -0.026 1.00 0.00 O ATOM 173 OE2 GLU A 98 7.637 -7.409 -0.618 1.00 0.00 O ATOM 0 H GLU A 98 5.581 -3.071 1.259 1.00 0.00 H new ATOM 0 HA GLU A 98 4.886 -5.695 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.058 -4.446 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.415 -5.227 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.792 -6.898 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.311 -7.356 1.482 1.00 0.00 H new ATOM 180 N ARG A 99 3.848 -4.736 3.529 1.00 0.00 N ATOM 181 CA ARG A 99 2.912 -5.053 4.600 1.00 0.00 C ATOM 182 C ARG A 99 1.472 -4.986 4.101 1.00 0.00 C ATOM 183 O ARG A 99 0.635 -5.805 4.479 1.00 0.00 O ATOM 184 CB ARG A 99 3.102 -4.091 5.774 1.00 0.00 C ATOM 185 CG ARG A 99 2.942 -2.628 5.395 1.00 0.00 C ATOM 186 CD ARG A 99 3.177 -1.714 6.586 1.00 0.00 C ATOM 187 NE ARG A 99 2.015 -1.655 7.468 1.00 0.00 N ATOM 188 CZ ARG A 99 1.972 -0.927 8.579 1.00 0.00 C ATOM 189 NH1 ARG A 99 3.020 -0.200 8.941 1.00 0.00 N ATOM 190 NH2 ARG A 99 0.877 -0.925 9.330 1.00 0.00 N ATOM 0 H ARG A 99 4.362 -3.865 3.662 1.00 0.00 H new ATOM 0 HA ARG A 99 3.115 -6.070 4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.381 -4.336 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.095 -4.241 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.644 -2.378 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.940 -2.461 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.042 -2.067 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.415 -0.711 6.232 1.00 0.00 H new ATOM 0 HE ARG A 99 1.191 -2.202 7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.863 -0.198 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.984 0.358 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.068 -1.482 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.844 -0.366 10.183 1.00 0.00 H new ATOM 204 N ALA A 100 1.191 -4.004 3.251 1.00 0.00 N ATOM 205 CA ALA A 100 -0.148 -3.831 2.700 1.00 0.00 C ATOM 206 C ALA A 100 -0.547 -5.026 1.841 1.00 0.00 C ATOM 207 O ALA A 100 -1.694 -5.470 1.875 1.00 0.00 O ATOM 208 CB ALA A 100 -0.221 -2.547 1.887 1.00 0.00 C ATOM 0 H ALA A 100 1.872 -3.316 2.929 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.850 -3.764 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.226 -2.430 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.013 -1.697 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.498 -2.593 1.069 1.00 0.00 H new ATOM 214 N GLU A 101 0.407 -5.542 1.073 1.00 0.00 N ATOM 215 CA GLU A 101 0.153 -6.685 0.204 1.00 0.00 C ATOM 216 C GLU A 101 -0.194 -7.924 1.024 1.00 0.00 C ATOM 217 O GLU A 101 -1.133 -8.652 0.701 1.00 0.00 O ATOM 218 CB GLU A 101 1.373 -6.967 -0.675 1.00 0.00 C ATOM 219 CG GLU A 101 1.042 -7.096 -2.152 1.00 0.00 C ATOM 220 CD GLU A 101 2.267 -7.364 -3.004 1.00 0.00 C ATOM 221 OE1 GLU A 101 3.283 -6.660 -2.819 1.00 0.00 O ATOM 222 OE2 GLU A 101 2.212 -8.276 -3.855 1.00 0.00 O ATOM 0 H GLU A 101 1.362 -5.187 1.035 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.697 -6.442 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.099 -6.165 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.849 -7.887 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.324 -7.905 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.560 -6.180 -2.494 1.00 0.00 H new ATOM 229 N ARG A 102 0.572 -8.158 2.085 1.00 0.00 N ATOM 230 CA ARG A 102 0.347 -9.310 2.949 1.00 0.00 C ATOM 231 C ARG A 102 -1.032 -9.241 3.599 1.00 0.00 C ATOM 232 O ARG A 102 -1.727 -10.251 3.711 1.00 0.00 O ATOM 233 CB ARG A 102 1.428 -9.382 4.030 1.00 0.00 C ATOM 234 CG ARG A 102 2.244 -10.663 3.990 1.00 0.00 C ATOM 235 CD ARG A 102 3.091 -10.746 2.730 1.00 0.00 C ATOM 236 NE ARG A 102 3.140 -12.103 2.191 1.00 0.00 N ATOM 237 CZ ARG A 102 3.731 -12.417 1.044 1.00 0.00 C ATOM 238 NH1 ARG A 102 4.320 -11.477 0.318 1.00 0.00 N ATOM 239 NH2 ARG A 102 3.734 -13.675 0.620 1.00 0.00 N ATOM 0 H ARG A 102 1.353 -7.565 2.366 1.00 0.00 H new ATOM 0 HA ARG A 102 0.396 -10.209 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.099 -8.530 3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.958 -9.291 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.889 -10.712 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.576 -11.523 4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.686 -10.071 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.103 -10.407 2.951 1.00 0.00 H new ATOM 0 HE ARG A 102 2.696 -12.850 2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.320 -10.509 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.773 -11.722 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.282 -14.401 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.188 -13.915 -0.261 1.00 0.00 H new ATOM 253 N ARG A 103 -1.421 -8.044 4.026 1.00 0.00 N ATOM 254 CA ARG A 103 -2.715 -7.844 4.665 1.00 0.00 C ATOM 255 C ARG A 103 -3.851 -8.025 3.662 1.00 0.00 C ATOM 256 O ARG A 103 -4.888 -8.608 3.980 1.00 0.00 O ATOM 257 CB ARG A 103 -2.790 -6.450 5.290 1.00 0.00 C ATOM 258 CG ARG A 103 -3.110 -6.465 6.776 1.00 0.00 C ATOM 259 CD ARG A 103 -1.856 -6.295 7.618 1.00 0.00 C ATOM 260 NE ARG A 103 -2.161 -5.826 8.967 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.594 -6.619 9.941 1.00 0.00 C ATOM 262 NH1 ARG A 103 -2.771 -7.914 9.717 1.00 0.00 N ATOM 263 NH2 ARG A 103 -2.851 -6.117 11.142 1.00 0.00 N ATOM 0 H ARG A 103 -0.858 -7.198 3.941 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.823 -8.593 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.838 -5.941 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.550 -5.868 4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.815 -5.666 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.598 -7.405 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.327 -7.246 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.186 -5.587 7.131 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.035 -4.835 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.575 -8.304 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.104 -8.520 10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.716 -5.121 11.318 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.183 -6.727 11.889 1.00 0.00 H new ATOM 277 N LEU A 104 -3.649 -7.519 2.451 1.00 0.00 N ATOM 278 CA LEU A 104 -4.655 -7.624 1.400 1.00 0.00 C ATOM 279 C LEU A 104 -5.051 -9.079 1.167 1.00 0.00 C ATOM 280 O LEU A 104 -6.172 -9.367 0.749 1.00 0.00 O ATOM 281 CB LEU A 104 -4.130 -7.013 0.099 1.00 0.00 C ATOM 282 CG LEU A 104 -4.873 -5.778 -0.410 1.00 0.00 C ATOM 283 CD1 LEU A 104 -4.297 -4.514 0.208 1.00 0.00 C ATOM 284 CD2 LEU A 104 -4.810 -5.707 -1.929 1.00 0.00 C ATOM 0 H LEU A 104 -2.797 -7.032 2.172 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.538 -7.073 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.082 -6.749 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.163 -7.778 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.918 -5.859 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.839 -3.646 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.395 -4.562 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.244 -4.426 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.344 -4.822 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.769 -5.650 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.272 -6.598 -2.354 1.00 0.00 H new ATOM 296 N GLN A 105 -4.125 -9.990 1.446 1.00 0.00 N ATOM 297 CA GLN A 105 -4.379 -11.415 1.268 1.00 0.00 C ATOM 298 C GLN A 105 -5.563 -11.867 2.115 1.00 0.00 C ATOM 299 O GLN A 105 -6.466 -12.546 1.626 1.00 0.00 O ATOM 300 CB GLN A 105 -3.135 -12.226 1.635 1.00 0.00 C ATOM 301 CG GLN A 105 -2.861 -13.383 0.689 1.00 0.00 C ATOM 302 CD GLN A 105 -1.510 -13.274 0.009 1.00 0.00 C ATOM 303 OE1 GLN A 105 -1.057 -12.180 -0.326 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.857 -14.412 -0.195 1.00 0.00 N ATOM 0 H GLN A 105 -3.193 -9.768 1.796 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.620 -11.587 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.270 -11.563 1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.251 -12.615 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.910 -14.320 1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.643 -13.420 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.270 -15.297 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.058 -14.401 -0.646 1.00 0.00 H new ATOM 313 N SER A 106 -5.553 -11.485 3.389 1.00 0.00 N ATOM 314 CA SER A 106 -6.625 -11.855 4.306 1.00 0.00 C ATOM 315 C SER A 106 -7.926 -11.152 3.932 1.00 0.00 C ATOM 316 O SER A 106 -7.928 -9.970 3.586 1.00 0.00 O ATOM 317 CB SER A 106 -6.238 -11.504 5.744 1.00 0.00 C ATOM 318 OG SER A 106 -7.226 -11.943 6.660 1.00 0.00 O ATOM 0 H SER A 106 -4.815 -10.920 3.809 1.00 0.00 H new ATOM 0 HA SER A 106 -6.779 -12.931 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.281 -11.964 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.106 -10.426 5.836 1.00 0.00 H new ATOM 0 HG SER A 106 -6.954 -11.708 7.572 1.00 0.00 H new ATOM 324 N GLN A 107 -9.031 -11.888 4.003 1.00 0.00 N ATOM 325 CA GLN A 107 -10.339 -11.336 3.671 1.00 0.00 C ATOM 326 C GLN A 107 -11.127 -11.005 4.935 1.00 0.00 C ATOM 327 O GLN A 107 -11.995 -10.133 4.925 1.00 0.00 O ATOM 328 CB GLN A 107 -11.128 -12.321 2.808 1.00 0.00 C ATOM 329 CG GLN A 107 -11.077 -12.004 1.322 1.00 0.00 C ATOM 330 CD GLN A 107 -10.725 -13.214 0.479 1.00 0.00 C ATOM 331 OE1 GLN A 107 -9.555 -13.572 0.345 1.00 0.00 O ATOM 332 NE2 GLN A 107 -11.740 -13.851 -0.095 1.00 0.00 N ATOM 0 H GLN A 107 -9.046 -12.867 4.287 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.184 -10.415 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.739 -13.326 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.168 -12.325 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.044 -11.613 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.342 -11.218 1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.694 -13.519 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.565 -14.672 -0.674 1.00 0.00 H new ATOM 341 N GLN A 108 -10.817 -11.707 6.020 1.00 0.00 N ATOM 342 CA GLN A 108 -11.498 -11.489 7.291 1.00 0.00 C ATOM 343 C GLN A 108 -11.434 -10.020 7.697 1.00 0.00 C ATOM 344 O GLN A 108 -12.368 -9.491 8.300 1.00 0.00 O ATOM 345 CB GLN A 108 -10.875 -12.359 8.384 1.00 0.00 C ATOM 346 CG GLN A 108 -11.401 -13.785 8.400 1.00 0.00 C ATOM 347 CD GLN A 108 -10.628 -14.703 7.473 1.00 0.00 C ATOM 348 OE1 GLN A 108 -9.404 -14.615 7.373 1.00 0.00 O ATOM 349 NE2 GLN A 108 -11.340 -15.591 6.789 1.00 0.00 N ATOM 0 H GLN A 108 -10.099 -12.431 6.045 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.544 -11.768 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.794 -12.381 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -11.064 -11.900 9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.351 -14.175 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -12.452 -13.784 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -12.353 -15.629 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.874 -16.235 6.150 1.00 0.00 H new ATOM 358 N ASP A 109 -10.327 -9.366 7.363 1.00 0.00 N ATOM 359 CA ASP A 109 -10.141 -7.958 7.692 1.00 0.00 C ATOM 360 C ASP A 109 -10.624 -7.066 6.552 1.00 0.00 C ATOM 361 O ASP A 109 -9.888 -6.206 6.069 1.00 0.00 O ATOM 362 CB ASP A 109 -8.669 -7.672 7.990 1.00 0.00 C ATOM 363 CG ASP A 109 -7.778 -7.902 6.785 1.00 0.00 C ATOM 364 OD1 ASP A 109 -8.287 -8.394 5.757 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.572 -7.590 6.872 1.00 0.00 O ATOM 0 H ASP A 109 -9.544 -9.789 6.864 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.733 -7.736 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.563 -6.640 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.337 -8.309 8.810 1.00 0.00 H new ATOM 370 N ASP A 110 -11.865 -7.277 6.128 1.00 0.00 N ATOM 371 CA ASP A 110 -12.447 -6.492 5.046 1.00 0.00 C ATOM 372 C ASP A 110 -12.393 -5.001 5.366 1.00 0.00 C ATOM 373 O ASP A 110 -12.301 -4.167 4.465 1.00 0.00 O ATOM 374 CB ASP A 110 -13.894 -6.921 4.797 1.00 0.00 C ATOM 375 CG ASP A 110 -14.087 -7.544 3.428 1.00 0.00 C ATOM 376 OD1 ASP A 110 -13.608 -6.956 2.437 1.00 0.00 O ATOM 377 OD2 ASP A 110 -14.716 -8.620 3.350 1.00 0.00 O ATOM 0 H ASP A 110 -12.487 -7.985 6.517 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.862 -6.673 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.195 -7.635 5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.548 -6.055 4.894 1.00 0.00 H new ATOM 382 N ILE A 111 -12.452 -4.675 6.652 1.00 0.00 N ATOM 383 CA ILE A 111 -12.410 -3.286 7.090 1.00 0.00 C ATOM 384 C ILE A 111 -11.030 -2.679 6.861 1.00 0.00 C ATOM 385 O ILE A 111 -10.899 -1.475 6.636 1.00 0.00 O ATOM 386 CB ILE A 111 -12.775 -3.153 8.580 1.00 0.00 C ATOM 387 CG1 ILE A 111 -12.901 -1.679 8.968 1.00 0.00 C ATOM 388 CG2 ILE A 111 -11.733 -3.847 9.444 1.00 0.00 C ATOM 389 CD1 ILE A 111 -13.353 -1.466 10.396 1.00 0.00 C ATOM 0 H ILE A 111 -12.529 -5.354 7.409 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.146 -2.746 6.495 1.00 0.00 H new ATOM 0 HB ILE A 111 -13.738 -3.636 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -11.937 -1.190 8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -13.608 -1.194 8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -12.005 -3.744 10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -11.689 -4.904 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -10.758 -3.390 9.275 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -13.420 -0.398 10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -14.331 -1.925 10.540 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.634 -1.921 11.077 1.00 0.00 H new ATOM 401 N ASP A 112 -10.003 -3.520 6.918 1.00 0.00 N ATOM 402 CA ASP A 112 -8.632 -3.067 6.713 1.00 0.00 C ATOM 403 C ASP A 112 -8.321 -2.931 5.226 1.00 0.00 C ATOM 404 O ASP A 112 -7.502 -2.103 4.827 1.00 0.00 O ATOM 405 CB ASP A 112 -7.649 -4.041 7.366 1.00 0.00 C ATOM 406 CG ASP A 112 -6.572 -3.329 8.161 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.918 -2.436 8.962 1.00 0.00 O ATOM 408 OD2 ASP A 112 -5.382 -3.665 7.982 1.00 0.00 O ATOM 0 H ASP A 112 -10.094 -4.519 7.104 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.525 -2.087 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.195 -4.718 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.182 -4.654 6.595 1.00 0.00 H new ATOM 413 N PHE A 113 -8.978 -3.749 4.412 1.00 0.00 N ATOM 414 CA PHE A 113 -8.770 -3.721 2.968 1.00 0.00 C ATOM 415 C PHE A 113 -8.936 -2.306 2.423 1.00 0.00 C ATOM 416 O PHE A 113 -8.071 -1.798 1.709 1.00 0.00 O ATOM 417 CB PHE A 113 -9.751 -4.667 2.272 1.00 0.00 C ATOM 418 CG PHE A 113 -9.619 -4.673 0.776 1.00 0.00 C ATOM 419 CD1 PHE A 113 -8.573 -5.343 0.162 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.540 -4.007 -0.016 1.00 0.00 C ATOM 421 CE1 PHE A 113 -8.448 -5.351 -1.213 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.421 -4.011 -1.393 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.373 -4.683 -1.993 1.00 0.00 C ATOM 0 H PHE A 113 -9.659 -4.440 4.727 1.00 0.00 H new ATOM 0 HA PHE A 113 -7.751 -4.052 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.595 -5.679 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.769 -4.382 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.846 -5.865 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.360 -3.479 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.629 -5.879 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.146 -3.489 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.277 -4.686 -3.069 1.00 0.00 H new ATOM 433 N LYS A 114 -10.054 -1.675 2.762 1.00 0.00 N ATOM 434 CA LYS A 114 -10.336 -0.318 2.308 1.00 0.00 C ATOM 435 C LYS A 114 -9.212 0.633 2.706 1.00 0.00 C ATOM 436 O LYS A 114 -8.705 1.391 1.879 1.00 0.00 O ATOM 437 CB LYS A 114 -11.663 0.172 2.890 1.00 0.00 C ATOM 438 CG LYS A 114 -12.883 -0.381 2.172 1.00 0.00 C ATOM 439 CD LYS A 114 -13.442 0.619 1.174 1.00 0.00 C ATOM 440 CE LYS A 114 -14.849 0.241 0.736 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.820 0.322 1.862 1.00 0.00 N ATOM 0 H LYS A 114 -10.781 -2.082 3.350 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.408 -0.333 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.714 -0.107 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.689 1.261 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.616 -1.302 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.651 -0.637 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.453 1.613 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.789 0.669 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.169 0.903 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.844 -0.772 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.783 0.429 1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.766 -0.547 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.591 1.141 2.460 1.00 0.00 H new ATOM 455 N ARG A 115 -8.827 0.587 3.978 1.00 0.00 N ATOM 456 CA ARG A 115 -7.763 1.445 4.485 1.00 0.00 C ATOM 457 C ARG A 115 -6.470 1.226 3.706 1.00 0.00 C ATOM 458 O ARG A 115 -5.874 2.174 3.194 1.00 0.00 O ATOM 459 CB ARG A 115 -7.526 1.174 5.973 1.00 0.00 C ATOM 460 CG ARG A 115 -6.612 2.190 6.638 1.00 0.00 C ATOM 461 CD ARG A 115 -5.772 1.551 7.732 1.00 0.00 C ATOM 462 NE ARG A 115 -6.482 1.498 9.008 1.00 0.00 N ATOM 463 CZ ARG A 115 -6.049 0.816 10.062 1.00 0.00 C ATOM 464 NH1 ARG A 115 -4.915 0.133 9.994 1.00 0.00 N ATOM 465 NH2 ARG A 115 -6.752 0.817 11.188 1.00 0.00 N ATOM 0 H ARG A 115 -9.236 -0.035 4.675 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.074 2.482 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.486 1.168 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.095 0.179 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.958 2.637 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.210 2.997 7.061 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.492 0.542 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.847 2.115 7.855 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.358 2.013 9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.372 0.130 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.585 -0.390 10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.625 1.342 11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.419 0.293 11.997 1.00 0.00 H new ATOM 479 N ALA A 116 -6.041 -0.029 3.620 1.00 0.00 N ATOM 480 CA ALA A 116 -4.820 -0.372 2.902 1.00 0.00 C ATOM 481 C ALA A 116 -4.908 0.048 1.438 1.00 0.00 C ATOM 482 O ALA A 116 -3.889 0.279 0.788 1.00 0.00 O ATOM 483 CB ALA A 116 -4.547 -1.865 3.009 1.00 0.00 C ATOM 0 H ALA A 116 -6.521 -0.825 4.039 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.993 0.171 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.632 -2.107 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.432 -2.140 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.381 -2.419 2.578 1.00 0.00 H new ATOM 489 N GLU A 117 -6.131 0.144 0.926 1.00 0.00 N ATOM 490 CA GLU A 117 -6.349 0.534 -0.460 1.00 0.00 C ATOM 491 C GLU A 117 -6.042 2.015 -0.663 1.00 0.00 C ATOM 492 O GLU A 117 -5.448 2.405 -1.669 1.00 0.00 O ATOM 493 CB GLU A 117 -7.793 0.241 -0.874 1.00 0.00 C ATOM 494 CG GLU A 117 -8.021 0.308 -2.375 1.00 0.00 C ATOM 495 CD GLU A 117 -8.904 1.472 -2.780 1.00 0.00 C ATOM 496 OE1 GLU A 117 -8.877 2.507 -2.081 1.00 0.00 O ATOM 497 OE2 GLU A 117 -9.622 1.349 -3.794 1.00 0.00 O ATOM 0 H GLU A 117 -6.985 -0.043 1.451 1.00 0.00 H new ATOM 0 HA GLU A 117 -5.673 -0.049 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.070 -0.751 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.455 0.954 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.059 0.393 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.477 -0.623 -2.711 1.00 0.00 H new ATOM 504 N LEU A 118 -6.449 2.835 0.298 1.00 0.00 N ATOM 505 CA LEU A 118 -6.218 4.274 0.226 1.00 0.00 C ATOM 506 C LEU A 118 -4.733 4.595 0.364 1.00 0.00 C ATOM 507 O LEU A 118 -4.228 5.524 -0.264 1.00 0.00 O ATOM 508 CB LEU A 118 -7.010 4.993 1.320 1.00 0.00 C ATOM 509 CG LEU A 118 -7.258 6.486 1.098 1.00 0.00 C ATOM 510 CD1 LEU A 118 -8.223 6.701 -0.056 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.790 7.132 2.369 1.00 0.00 C ATOM 0 H LEU A 118 -6.941 2.529 1.137 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.557 4.623 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.975 4.497 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.481 4.870 2.265 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.310 6.959 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.387 7.769 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.803 6.274 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.172 6.215 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.961 8.194 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.728 6.656 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.063 7.009 3.171 1.00 0.00 H new ATOM 523 N ALA A 119 -4.039 3.817 1.188 1.00 0.00 N ATOM 524 CA ALA A 119 -2.611 4.015 1.404 1.00 0.00 C ATOM 525 C ALA A 119 -1.807 3.602 0.177 1.00 0.00 C ATOM 526 O ALA A 119 -0.963 4.356 -0.307 1.00 0.00 O ATOM 527 CB ALA A 119 -2.150 3.236 2.627 1.00 0.00 C ATOM 0 H ALA A 119 -4.442 3.044 1.717 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.439 5.077 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.082 3.393 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.694 3.582 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.343 2.174 2.476 1.00 0.00 H new ATOM 533 N LEU A 120 -2.074 2.400 -0.321 1.00 0.00 N ATOM 534 CA LEU A 120 -1.374 1.885 -1.493 1.00 0.00 C ATOM 535 C LEU A 120 -1.583 2.799 -2.697 1.00 0.00 C ATOM 536 O LEU A 120 -0.670 3.010 -3.495 1.00 0.00 O ATOM 537 CB LEU A 120 -1.859 0.472 -1.822 1.00 0.00 C ATOM 538 CG LEU A 120 -0.776 -0.539 -2.198 1.00 0.00 C ATOM 539 CD1 LEU A 120 0.098 0.007 -3.316 1.00 0.00 C ATOM 540 CD2 LEU A 120 0.069 -0.893 -0.983 1.00 0.00 C ATOM 0 H LEU A 120 -2.770 1.764 0.068 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.309 1.853 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.404 0.087 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.570 0.536 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.262 -1.447 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.863 -0.726 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.517 0.209 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.575 0.930 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.835 -1.614 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.545 0.008 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.567 -1.327 -0.211 1.00 0.00 H new ATOM 552 N LYS A 121 -2.790 3.340 -2.820 1.00 0.00 N ATOM 553 CA LYS A 121 -3.120 4.235 -3.923 1.00 0.00 C ATOM 554 C LYS A 121 -2.296 5.517 -3.848 1.00 0.00 C ATOM 555 O LYS A 121 -1.776 5.991 -4.858 1.00 0.00 O ATOM 556 CB LYS A 121 -4.612 4.573 -3.905 1.00 0.00 C ATOM 557 CG LYS A 121 -5.112 5.190 -5.200 1.00 0.00 C ATOM 558 CD LYS A 121 -6.574 5.591 -5.098 1.00 0.00 C ATOM 559 CE LYS A 121 -7.085 6.170 -6.409 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.499 5.104 -7.362 1.00 0.00 N ATOM 0 H LYS A 121 -3.557 3.174 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.882 3.724 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.179 3.665 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.810 5.262 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.510 6.065 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.985 4.479 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -7.173 4.722 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.696 6.326 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.931 6.828 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.306 6.781 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -7.841 5.539 -8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -6.686 4.491 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -8.260 4.536 -6.938 1.00 0.00 H new ATOM 574 N ARG A 122 -2.182 6.072 -2.646 1.00 0.00 N ATOM 575 CA ARG A 122 -1.422 7.299 -2.440 1.00 0.00 C ATOM 576 C ARG A 122 0.063 7.069 -2.703 1.00 0.00 C ATOM 577 O ARG A 122 0.720 7.875 -3.360 1.00 0.00 O ATOM 578 CB ARG A 122 -1.625 7.817 -1.015 1.00 0.00 C ATOM 579 CG ARG A 122 -2.929 8.575 -0.822 1.00 0.00 C ATOM 580 CD ARG A 122 -2.757 9.743 0.136 1.00 0.00 C ATOM 581 NE ARG A 122 -3.893 10.660 0.089 1.00 0.00 N ATOM 582 CZ ARG A 122 -4.093 11.534 -0.891 1.00 0.00 C ATOM 583 NH1 ARG A 122 -3.238 11.609 -1.902 1.00 0.00 N ATOM 584 NH2 ARG A 122 -5.151 12.335 -0.863 1.00 0.00 N ATOM 0 H ARG A 122 -2.606 5.692 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.787 8.046 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -1.599 6.974 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.793 8.470 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -3.284 8.942 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.692 7.897 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.638 9.365 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.844 10.284 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.570 10.627 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.424 10.995 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.394 12.281 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -5.812 12.280 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.303 13.006 -1.616 1.00 0.00 H new ATOM 598 N ALA A 123 0.586 5.963 -2.183 1.00 0.00 N ATOM 599 CA ALA A 123 1.993 5.626 -2.362 1.00 0.00 C ATOM 600 C ALA A 123 2.346 5.514 -3.841 1.00 0.00 C ATOM 601 O ALA A 123 3.335 6.088 -4.298 1.00 0.00 O ATOM 602 CB ALA A 123 2.320 4.328 -1.639 1.00 0.00 C ATOM 0 H ALA A 123 0.056 5.285 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 123 2.592 6.429 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.374 4.088 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.114 4.442 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.707 3.522 -2.043 1.00 0.00 H new ATOM 608 N MET A 124 1.533 4.772 -4.585 1.00 0.00 N ATOM 609 CA MET A 124 1.761 4.586 -6.013 1.00 0.00 C ATOM 610 C MET A 124 1.780 5.927 -6.739 1.00 0.00 C ATOM 611 O MET A 124 2.712 6.227 -7.485 1.00 0.00 O ATOM 612 CB MET A 124 0.679 3.684 -6.611 1.00 0.00 C ATOM 613 CG MET A 124 1.187 2.784 -7.726 1.00 0.00 C ATOM 614 SD MET A 124 -0.142 2.155 -8.770 1.00 0.00 S ATOM 615 CE MET A 124 -0.134 3.364 -10.092 1.00 0.00 C ATOM 0 H MET A 124 0.710 4.290 -4.223 1.00 0.00 H new ATOM 0 HA MET A 124 2.733 4.109 -6.142 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.255 3.065 -5.820 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.129 4.306 -6.997 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.896 3.339 -8.341 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.731 1.945 -7.291 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.904 3.111 -10.821 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.334 4.354 -9.681 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.841 3.363 -10.580 1.00 0.00 H new ATOM 625 N ASN A 125 0.744 6.730 -6.519 1.00 0.00 N ATOM 626 CA ASN A 125 0.641 8.039 -7.153 1.00 0.00 C ATOM 627 C ASN A 125 1.871 8.889 -6.847 1.00 0.00 C ATOM 628 O ASN A 125 2.447 9.510 -7.741 1.00 0.00 O ATOM 629 CB ASN A 125 -0.622 8.760 -6.681 1.00 0.00 C ATOM 630 CG ASN A 125 -1.689 8.822 -7.757 1.00 0.00 C ATOM 631 OD1 ASN A 125 -2.446 7.871 -7.953 1.00 0.00 O ATOM 632 ND2 ASN A 125 -1.754 9.946 -8.462 1.00 0.00 N ATOM 0 H ASN A 125 -0.037 6.497 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 125 0.583 7.890 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.022 8.250 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.364 9.772 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.451 10.046 -9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.107 10.709 -8.266 1.00 0.00 H new ATOM 639 N ARG A 126 2.267 8.912 -5.579 1.00 0.00 N ATOM 640 CA ARG A 126 3.427 9.686 -5.154 1.00 0.00 C ATOM 641 C ARG A 126 4.695 9.186 -5.840 1.00 0.00 C ATOM 642 O ARG A 126 5.523 9.978 -6.292 1.00 0.00 O ATOM 643 CB ARG A 126 3.591 9.608 -3.635 1.00 0.00 C ATOM 644 CG ARG A 126 3.378 10.938 -2.931 1.00 0.00 C ATOM 645 CD ARG A 126 4.695 11.662 -2.697 1.00 0.00 C ATOM 646 NE ARG A 126 4.523 13.112 -2.663 1.00 0.00 N ATOM 647 CZ ARG A 126 4.323 13.854 -3.746 1.00 0.00 C ATOM 648 NH1 ARG A 126 4.268 13.285 -4.943 1.00 0.00 N ATOM 649 NH2 ARG A 126 4.176 15.168 -3.634 1.00 0.00 N ATOM 0 H ARG A 126 1.801 8.403 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 126 3.264 10.725 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.884 8.879 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.591 9.240 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.718 11.566 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.879 10.770 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.131 11.326 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.399 11.399 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 126 4.558 13.580 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.379 12.275 -5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.114 13.857 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.217 15.609 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.022 15.737 -4.467 1.00 0.00 H new ATOM 663 N LEU A 127 4.841 7.867 -5.913 1.00 0.00 N ATOM 664 CA LEU A 127 6.008 7.261 -6.543 1.00 0.00 C ATOM 665 C LEU A 127 6.069 7.609 -8.027 1.00 0.00 C ATOM 666 O LEU A 127 7.150 7.737 -8.602 1.00 0.00 O ATOM 667 CB LEU A 127 5.977 5.742 -6.365 1.00 0.00 C ATOM 668 CG LEU A 127 6.377 5.219 -4.985 1.00 0.00 C ATOM 669 CD1 LEU A 127 6.029 3.745 -4.850 1.00 0.00 C ATOM 670 CD2 LEU A 127 7.862 5.443 -4.740 1.00 0.00 C ATOM 0 H LEU A 127 4.166 7.198 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 127 6.899 7.660 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.969 5.391 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.640 5.296 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 127 5.817 5.773 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 127 6.321 3.391 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 127 4.955 3.611 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.561 3.174 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.129 5.065 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.440 4.916 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 127 8.083 6.509 -4.792 1.00 0.00 H new ATOM 682 N SER A 128 4.900 7.763 -8.641 1.00 0.00 N ATOM 683 CA SER A 128 4.820 8.095 -10.059 1.00 0.00 C ATOM 684 C SER A 128 5.241 9.541 -10.303 1.00 0.00 C ATOM 685 O SER A 128 6.029 9.827 -11.206 1.00 0.00 O ATOM 686 CB SER A 128 3.398 7.872 -10.578 1.00 0.00 C ATOM 687 OG SER A 128 3.080 6.492 -10.615 1.00 0.00 O ATOM 0 H SER A 128 3.996 7.663 -8.179 1.00 0.00 H new ATOM 0 HA SER A 128 5.503 7.439 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.688 8.395 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.301 8.298 -11.577 1.00 0.00 H new ATOM 0 HG SER A 128 2.933 6.166 -9.703 1.00 0.00 H new ATOM 693 N VAL A 129 4.711 10.450 -9.491 1.00 0.00 N ATOM 694 CA VAL A 129 5.031 11.867 -9.617 1.00 0.00 C ATOM 695 C VAL A 129 6.504 12.126 -9.319 1.00 0.00 C ATOM 696 O VAL A 129 7.127 12.996 -9.926 1.00 0.00 O ATOM 697 CB VAL A 129 4.169 12.723 -8.671 1.00 0.00 C ATOM 698 CG1 VAL A 129 4.534 14.194 -8.800 1.00 0.00 C ATOM 699 CG2 VAL A 129 2.690 12.506 -8.955 1.00 0.00 C ATOM 0 H VAL A 129 4.058 10.230 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 129 4.816 12.150 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 129 4.368 12.412 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.914 14.783 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 129 5.584 14.332 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.365 14.522 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.096 13.119 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.472 12.788 -9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.441 11.455 -8.807 1.00 0.00 H new ATOM 709 N ALA A 130 7.054 11.364 -8.379 1.00 0.00 N ATOM 710 CA ALA A 130 8.454 11.509 -8.002 1.00 0.00 C ATOM 711 C ALA A 130 9.370 11.318 -9.206 1.00 0.00 C ATOM 712 O ALA A 130 10.191 12.182 -9.515 1.00 0.00 O ATOM 713 CB ALA A 130 8.810 10.518 -6.904 1.00 0.00 C ATOM 0 H ALA A 130 6.551 10.640 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 130 8.600 12.521 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 130 9.859 10.637 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.185 10.703 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.641 9.502 -7.262 1.00 0.00 H new ATOM 719 N GLU A 131 9.224 10.183 -9.881 1.00 0.00 N ATOM 720 CA GLU A 131 10.040 9.880 -11.051 1.00 0.00 C ATOM 721 C GLU A 131 10.003 11.030 -12.053 1.00 0.00 C ATOM 722 O GLU A 131 11.029 11.643 -12.349 1.00 0.00 O ATOM 723 CB GLU A 131 9.555 8.591 -11.719 1.00 0.00 C ATOM 724 CG GLU A 131 10.483 7.407 -11.502 1.00 0.00 C ATOM 725 CD GLU A 131 10.217 6.273 -12.474 1.00 0.00 C ATOM 726 OE1 GLU A 131 9.040 6.069 -12.838 1.00 0.00 O ATOM 727 OE2 GLU A 131 11.185 5.590 -12.868 1.00 0.00 O ATOM 0 H GLU A 131 8.549 9.458 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 131 11.069 9.744 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.566 8.342 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.446 8.765 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.517 7.736 -11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 131 10.367 7.041 -10.482 1.00 0.00 H new ATOM 734 N MET A 132 8.814 11.316 -12.572 1.00 0.00 N ATOM 735 CA MET A 132 8.642 12.393 -13.541 1.00 0.00 C ATOM 736 C MET A 132 8.282 13.700 -12.842 1.00 0.00 C ATOM 737 O MET A 132 7.413 14.443 -13.300 1.00 0.00 O ATOM 738 CB MET A 132 7.557 12.028 -14.555 1.00 0.00 C ATOM 739 CG MET A 132 6.222 11.681 -13.918 1.00 0.00 C ATOM 740 SD MET A 132 4.818 12.285 -14.875 1.00 0.00 S ATOM 741 CE MET A 132 4.551 10.909 -15.990 1.00 0.00 C ATOM 0 H MET A 132 7.955 10.818 -12.338 1.00 0.00 H new ATOM 0 HA MET A 132 9.587 12.530 -14.066 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.417 12.863 -15.241 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.898 11.181 -15.150 1.00 0.00 H new ATOM 0 HG2 MET A 132 6.145 10.599 -13.811 1.00 0.00 H new ATOM 0 HG3 MET A 132 6.182 12.104 -12.914 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.712 11.132 -16.649 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.448 10.746 -16.588 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.331 10.011 -15.413 1.00 0.00 H new ATOM 751 N LYS A 133 8.954 13.977 -11.730 1.00 0.00 N ATOM 752 CA LYS A 133 8.706 15.195 -10.967 1.00 0.00 C ATOM 753 C LYS A 133 8.830 16.428 -11.856 1.00 0.00 C ATOM 754 O LYS A 133 7.830 16.965 -12.333 1.00 0.00 O ATOM 755 CB LYS A 133 9.685 15.296 -9.796 1.00 0.00 C ATOM 756 CG LYS A 133 9.589 16.607 -9.035 1.00 0.00 C ATOM 757 CD LYS A 133 9.854 16.411 -7.551 1.00 0.00 C ATOM 758 CE LYS A 133 8.877 17.208 -6.701 1.00 0.00 C ATOM 759 NZ LYS A 133 7.886 16.328 -6.021 1.00 0.00 N ATOM 0 H LYS A 133 9.676 13.373 -11.336 1.00 0.00 H new ATOM 0 HA LYS A 133 7.689 15.150 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.501 14.471 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 133 10.701 15.177 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 133 10.307 17.319 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.598 17.038 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 133 9.775 15.353 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 133 10.874 16.717 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.428 17.779 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.352 17.928 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.238 16.910 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 7.342 15.801 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.384 15.658 -5.401 1.00 0.00 H new