USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=6 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 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 91:sc= 0.00778 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 156:sc= -0.0367 (180deg=-0.312) USER MOD Single : A 124 MET CE :methyl -132:sc= 0 (180deg=-0.0274) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 156:sc= -0.0325 (180deg=-0.674) USER MOD Single : A 133 LYS NZ :NH3+ -170:sc= 0.00621 (180deg=0.00238) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 89 11.173 7.924 -0.400 1.00 0.00 N ATOM 21 CA ASP A 89 12.316 7.043 -0.611 1.00 0.00 C ATOM 22 C ASP A 89 11.888 5.754 -1.306 1.00 0.00 C ATOM 23 O ASP A 89 10.740 5.324 -1.187 1.00 0.00 O ATOM 24 CB ASP A 89 12.990 6.718 0.722 1.00 0.00 C ATOM 25 CG ASP A 89 14.499 6.641 0.605 1.00 0.00 C ATOM 26 OD1 ASP A 89 14.988 6.098 -0.406 1.00 0.00 O ATOM 27 OD2 ASP A 89 15.192 7.124 1.525 1.00 0.00 O ATOM 0 HA ASP A 89 13.029 7.561 -1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.724 7.479 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.609 5.768 1.096 1.00 0.00 H new ATOM 32 N VAL A 90 12.817 5.143 -2.033 1.00 0.00 N ATOM 33 CA VAL A 90 12.537 3.903 -2.747 1.00 0.00 C ATOM 34 C VAL A 90 12.215 2.771 -1.778 1.00 0.00 C ATOM 35 O VAL A 90 11.384 1.909 -2.066 1.00 0.00 O ATOM 36 CB VAL A 90 13.725 3.484 -3.633 1.00 0.00 C ATOM 37 CG1 VAL A 90 13.400 2.209 -4.394 1.00 0.00 C ATOM 38 CG2 VAL A 90 14.098 4.607 -4.590 1.00 0.00 C ATOM 0 H VAL A 90 13.771 5.487 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 90 11.670 4.092 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 90 14.583 3.286 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.251 1.929 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.187 1.407 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.529 2.375 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.939 4.294 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.245 4.840 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.377 5.493 -4.020 1.00 0.00 H new ATOM 48 N LEU A 91 12.879 2.779 -0.627 1.00 0.00 N ATOM 49 CA LEU A 91 12.663 1.753 0.388 1.00 0.00 C ATOM 50 C LEU A 91 11.329 1.959 1.095 1.00 0.00 C ATOM 51 O LEU A 91 10.672 0.997 1.494 1.00 0.00 O ATOM 52 CB LEU A 91 13.803 1.769 1.406 1.00 0.00 C ATOM 53 CG LEU A 91 14.354 0.404 1.819 1.00 0.00 C ATOM 54 CD1 LEU A 91 15.820 0.281 1.434 1.00 0.00 C ATOM 55 CD2 LEU A 91 14.174 0.185 3.315 1.00 0.00 C ATOM 0 H LEU A 91 13.571 3.484 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 91 12.642 0.783 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.622 2.360 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.456 2.284 2.302 1.00 0.00 H new ATOM 0 HG LEU A 91 13.794 -0.367 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.195 -0.697 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.923 0.392 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.394 1.060 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.572 -0.792 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.707 0.962 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.114 0.228 3.564 1.00 0.00 H new ATOM 67 N ARG A 92 10.933 3.219 1.246 1.00 0.00 N ATOM 68 CA ARG A 92 9.676 3.551 1.905 1.00 0.00 C ATOM 69 C ARG A 92 8.485 3.165 1.032 1.00 0.00 C ATOM 70 O ARG A 92 7.491 2.630 1.522 1.00 0.00 O ATOM 71 CB ARG A 92 9.623 5.046 2.227 1.00 0.00 C ATOM 72 CG ARG A 92 9.642 5.349 3.716 1.00 0.00 C ATOM 73 CD ARG A 92 11.046 5.239 4.289 1.00 0.00 C ATOM 74 NE ARG A 92 11.606 6.547 4.619 1.00 0.00 N ATOM 75 CZ ARG A 92 12.680 6.715 5.384 1.00 0.00 C ATOM 76 NH1 ARG A 92 13.306 5.664 5.893 1.00 0.00 N ATOM 77 NH2 ARG A 92 13.129 7.937 5.639 1.00 0.00 N ATOM 0 H ARG A 92 11.465 4.026 0.921 1.00 0.00 H new ATOM 0 HA ARG A 92 9.622 2.984 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.470 5.541 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.720 5.471 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.255 6.353 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.980 4.658 4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.025 4.617 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.693 4.739 3.569 1.00 0.00 H new ATOM 0 HE ARG A 92 11.148 7.377 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.964 4.723 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.130 5.796 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.650 8.748 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.953 8.065 6.226 1.00 0.00 H new ATOM 91 N ALA A 93 8.594 3.442 -0.263 1.00 0.00 N ATOM 92 CA ALA A 93 7.528 3.123 -1.204 1.00 0.00 C ATOM 93 C ALA A 93 7.347 1.615 -1.338 1.00 0.00 C ATOM 94 O ALA A 93 6.223 1.118 -1.418 1.00 0.00 O ATOM 95 CB ALA A 93 7.820 3.744 -2.562 1.00 0.00 C ATOM 0 H ALA A 93 9.410 3.887 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 93 6.599 3.541 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.016 3.498 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.892 4.827 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.762 3.353 -2.946 1.00 0.00 H new ATOM 101 N LYS A 94 8.460 0.890 -1.363 1.00 0.00 N ATOM 102 CA LYS A 94 8.426 -0.562 -1.488 1.00 0.00 C ATOM 103 C LYS A 94 7.857 -1.203 -0.226 1.00 0.00 C ATOM 104 O LYS A 94 6.936 -2.016 -0.293 1.00 0.00 O ATOM 105 CB LYS A 94 9.831 -1.105 -1.760 1.00 0.00 C ATOM 106 CG LYS A 94 9.867 -2.604 -2.005 1.00 0.00 C ATOM 107 CD LYS A 94 11.291 -3.109 -2.162 1.00 0.00 C ATOM 108 CE LYS A 94 11.332 -4.444 -2.890 1.00 0.00 C ATOM 109 NZ LYS A 94 11.721 -4.286 -4.318 1.00 0.00 N ATOM 0 H LYS A 94 9.398 1.285 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 94 7.778 -0.814 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.247 -0.593 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.473 -0.868 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.386 -3.121 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.295 -2.841 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.880 -2.375 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.751 -3.215 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.039 -5.107 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.353 -4.920 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.737 -5.218 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.032 -3.674 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.666 -3.855 -4.375 1.00 0.00 H new ATOM 123 N ALA A 95 8.412 -0.830 0.922 1.00 0.00 N ATOM 124 CA ALA A 95 7.957 -1.365 2.199 1.00 0.00 C ATOM 125 C ALA A 95 6.492 -1.023 2.447 1.00 0.00 C ATOM 126 O ALA A 95 5.781 -1.758 3.133 1.00 0.00 O ATOM 127 CB ALA A 95 8.824 -0.836 3.332 1.00 0.00 C ATOM 0 H ALA A 95 9.177 -0.160 0.994 1.00 0.00 H new ATOM 0 HA ALA A 95 8.048 -2.451 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.473 -1.244 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.859 -1.137 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.762 0.252 3.360 1.00 0.00 H new ATOM 133 N ALA A 96 6.047 0.096 1.886 1.00 0.00 N ATOM 134 CA ALA A 96 4.666 0.534 2.046 1.00 0.00 C ATOM 135 C ALA A 96 3.706 -0.396 1.313 1.00 0.00 C ATOM 136 O ALA A 96 2.680 -0.803 1.858 1.00 0.00 O ATOM 137 CB ALA A 96 4.504 1.963 1.548 1.00 0.00 C ATOM 0 H ALA A 96 6.623 0.716 1.316 1.00 0.00 H new ATOM 0 HA ALA A 96 4.422 0.501 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.468 2.277 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.155 2.624 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.773 2.013 0.493 1.00 0.00 H new ATOM 143 N LYS A 97 4.045 -0.729 0.072 1.00 0.00 N ATOM 144 CA LYS A 97 3.214 -1.612 -0.737 1.00 0.00 C ATOM 145 C LYS A 97 3.170 -3.015 -0.140 1.00 0.00 C ATOM 146 O LYS A 97 2.120 -3.657 -0.120 1.00 0.00 O ATOM 147 CB LYS A 97 3.745 -1.673 -2.171 1.00 0.00 C ATOM 148 CG LYS A 97 3.595 -0.367 -2.931 1.00 0.00 C ATOM 149 CD LYS A 97 4.032 -0.511 -4.379 1.00 0.00 C ATOM 150 CE LYS A 97 5.510 -0.192 -4.549 1.00 0.00 C ATOM 151 NZ LYS A 97 5.963 -0.394 -5.954 1.00 0.00 N ATOM 0 H LYS A 97 4.890 -0.400 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 97 2.201 -1.209 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.799 -1.951 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.219 -2.460 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.556 -0.041 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.189 0.408 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.836 -1.528 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.440 0.155 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.695 0.840 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.097 -0.825 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.975 -0.166 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.810 -1.385 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.421 0.228 -6.587 1.00 0.00 H new ATOM 165 N GLU A 98 4.315 -3.484 0.344 1.00 0.00 N ATOM 166 CA GLU A 98 4.405 -4.811 0.943 1.00 0.00 C ATOM 167 C GLU A 98 3.503 -4.917 2.169 1.00 0.00 C ATOM 168 O GLU A 98 2.836 -5.930 2.376 1.00 0.00 O ATOM 169 CB GLU A 98 5.851 -5.123 1.330 1.00 0.00 C ATOM 170 CG GLU A 98 6.031 -6.497 1.954 1.00 0.00 C ATOM 171 CD GLU A 98 7.052 -7.343 1.218 1.00 0.00 C ATOM 172 OE1 GLU A 98 6.660 -8.052 0.269 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.242 -7.296 1.593 1.00 0.00 O ATOM 0 H GLU A 98 5.193 -2.965 0.333 1.00 0.00 H new ATOM 0 HA GLU A 98 4.070 -5.539 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.479 -5.051 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.202 -4.366 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.341 -6.382 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.073 -7.016 1.963 1.00 0.00 H new ATOM 180 N ARG A 99 3.491 -3.864 2.979 1.00 0.00 N ATOM 181 CA ARG A 99 2.674 -3.838 4.187 1.00 0.00 C ATOM 182 C ARG A 99 1.210 -4.116 3.859 1.00 0.00 C ATOM 183 O ARG A 99 0.542 -4.881 4.554 1.00 0.00 O ATOM 184 CB ARG A 99 2.803 -2.484 4.887 1.00 0.00 C ATOM 185 CG ARG A 99 3.259 -2.588 6.333 1.00 0.00 C ATOM 186 CD ARG A 99 4.717 -3.008 6.429 1.00 0.00 C ATOM 187 NE ARG A 99 5.562 -1.939 6.955 1.00 0.00 N ATOM 188 CZ ARG A 99 5.544 -1.546 8.224 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.729 -2.131 9.092 1.00 0.00 N ATOM 190 NH2 ARG A 99 6.342 -0.566 8.627 1.00 0.00 N ATOM 0 H ARG A 99 4.038 -3.017 2.821 1.00 0.00 H new ATOM 0 HA ARG A 99 3.034 -4.620 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.510 -1.865 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.840 -1.974 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.123 -1.627 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.636 -3.310 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.800 -3.885 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.075 -3.301 5.442 1.00 0.00 H new ATOM 0 HE ARG A 99 6.200 -1.469 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.114 -2.885 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.718 -1.827 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.970 -0.114 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.328 -0.265 9.601 1.00 0.00 H new ATOM 204 N ALA A 100 0.718 -3.489 2.796 1.00 0.00 N ATOM 205 CA ALA A 100 -0.666 -3.669 2.374 1.00 0.00 C ATOM 206 C ALA A 100 -0.861 -5.021 1.696 1.00 0.00 C ATOM 207 O ALA A 100 -1.891 -5.670 1.872 1.00 0.00 O ATOM 208 CB ALA A 100 -1.085 -2.543 1.442 1.00 0.00 C ATOM 0 H ALA A 100 1.258 -2.851 2.211 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.297 -3.643 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.120 -2.691 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.993 -1.588 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.442 -2.541 0.562 1.00 0.00 H new ATOM 214 N GLU A 101 0.135 -5.438 0.919 1.00 0.00 N ATOM 215 CA GLU A 101 0.070 -6.712 0.215 1.00 0.00 C ATOM 216 C GLU A 101 -0.035 -7.874 1.197 1.00 0.00 C ATOM 217 O GLU A 101 -0.761 -8.839 0.957 1.00 0.00 O ATOM 218 CB GLU A 101 1.303 -6.891 -0.674 1.00 0.00 C ATOM 219 CG GLU A 101 0.973 -7.031 -2.151 1.00 0.00 C ATOM 220 CD GLU A 101 1.654 -5.977 -3.002 1.00 0.00 C ATOM 221 OE1 GLU A 101 2.854 -6.141 -3.304 1.00 0.00 O ATOM 222 OE2 GLU A 101 0.984 -4.988 -3.368 1.00 0.00 O ATOM 0 H GLU A 101 0.995 -4.912 0.762 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.823 -6.707 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.966 -6.037 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.851 -7.775 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.274 -8.021 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.106 -6.961 -2.287 1.00 0.00 H new ATOM 229 N ARG A 102 0.694 -7.773 2.303 1.00 0.00 N ATOM 230 CA ARG A 102 0.685 -8.816 3.322 1.00 0.00 C ATOM 231 C ARG A 102 -0.569 -8.721 4.185 1.00 0.00 C ATOM 232 O ARG A 102 -1.082 -9.732 4.665 1.00 0.00 O ATOM 233 CB ARG A 102 1.932 -8.710 4.202 1.00 0.00 C ATOM 234 CG ARG A 102 2.819 -9.943 4.153 1.00 0.00 C ATOM 235 CD ARG A 102 3.905 -9.891 5.216 1.00 0.00 C ATOM 236 NE ARG A 102 3.758 -10.961 6.199 1.00 0.00 N ATOM 237 CZ ARG A 102 4.748 -11.385 6.977 1.00 0.00 C ATOM 238 NH1 ARG A 102 5.950 -10.832 6.887 1.00 0.00 N ATOM 239 NH2 ARG A 102 4.537 -12.363 7.848 1.00 0.00 N ATOM 0 H ARG A 102 1.298 -6.980 2.517 1.00 0.00 H new ATOM 0 HA ARG A 102 0.686 -9.782 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.513 -7.842 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.625 -8.535 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.211 -10.836 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.277 -10.024 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.883 -9.967 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.871 -8.926 5.722 1.00 0.00 H new ATOM 0 HE ARG A 102 2.846 -11.407 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.116 -10.079 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.708 -11.160 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.614 -12.790 7.921 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.298 -12.688 8.445 1.00 0.00 H new ATOM 253 N ARG A 103 -1.058 -7.500 4.378 1.00 0.00 N ATOM 254 CA ARG A 103 -2.251 -7.274 5.185 1.00 0.00 C ATOM 255 C ARG A 103 -3.485 -7.865 4.509 1.00 0.00 C ATOM 256 O ARG A 103 -4.318 -8.498 5.159 1.00 0.00 O ATOM 257 CB ARG A 103 -2.455 -5.776 5.422 1.00 0.00 C ATOM 258 CG ARG A 103 -1.889 -5.287 6.746 1.00 0.00 C ATOM 259 CD ARG A 103 -2.923 -4.501 7.537 1.00 0.00 C ATOM 260 NE ARG A 103 -2.715 -4.617 8.978 1.00 0.00 N ATOM 261 CZ ARG A 103 -1.747 -3.987 9.633 1.00 0.00 C ATOM 262 NH1 ARG A 103 -0.904 -3.199 8.981 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.622 -4.143 10.945 1.00 0.00 N ATOM 0 H ARG A 103 -0.647 -6.653 3.987 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.110 -7.772 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.987 -5.221 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.521 -5.553 5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.549 -6.139 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.017 -4.660 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.879 -3.451 7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.921 -4.859 7.285 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.348 -5.214 9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.998 -3.075 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.162 -2.717 9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.270 -4.747 11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.878 -3.659 11.448 1.00 0.00 H new ATOM 277 N LEU A 104 -3.595 -7.654 3.203 1.00 0.00 N ATOM 278 CA LEU A 104 -4.727 -8.165 2.437 1.00 0.00 C ATOM 279 C LEU A 104 -4.775 -9.689 2.489 1.00 0.00 C ATOM 280 O LEU A 104 -5.843 -10.290 2.372 1.00 0.00 O ATOM 281 CB LEU A 104 -4.641 -7.695 0.985 1.00 0.00 C ATOM 282 CG LEU A 104 -5.749 -6.750 0.518 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.276 -5.306 0.569 1.00 0.00 C ATOM 284 CD2 LEU A 104 -6.204 -7.114 -0.887 1.00 0.00 C ATOM 0 H LEU A 104 -2.914 -7.132 2.651 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.642 -7.775 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.682 -7.197 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.644 -8.573 0.339 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.599 -6.857 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.078 -4.648 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.001 -5.049 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.410 -5.184 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.993 -6.431 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.361 -7.037 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.585 -8.135 -0.893 1.00 0.00 H new ATOM 296 N GLN A 105 -3.612 -10.307 2.665 1.00 0.00 N ATOM 297 CA GLN A 105 -3.522 -11.760 2.733 1.00 0.00 C ATOM 298 C GLN A 105 -4.305 -12.299 3.926 1.00 0.00 C ATOM 299 O GLN A 105 -4.777 -13.436 3.909 1.00 0.00 O ATOM 300 CB GLN A 105 -2.059 -12.198 2.828 1.00 0.00 C ATOM 301 CG GLN A 105 -1.719 -13.381 1.936 1.00 0.00 C ATOM 302 CD GLN A 105 -0.450 -13.162 1.137 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.494 -12.962 -0.076 1.00 0.00 O ATOM 304 NE2 GLN A 105 0.691 -13.199 1.814 1.00 0.00 N ATOM 0 H GLN A 105 -2.719 -9.824 2.763 1.00 0.00 H new ATOM 0 HA GLN A 105 -3.958 -12.169 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.419 -11.357 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.832 -12.456 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.608 -14.274 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.547 -13.566 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.682 -13.368 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.577 -13.059 1.328 1.00 0.00 H new ATOM 313 N SER A 106 -4.438 -11.475 4.961 1.00 0.00 N ATOM 314 CA SER A 106 -5.160 -11.871 6.164 1.00 0.00 C ATOM 315 C SER A 106 -6.583 -12.307 5.825 1.00 0.00 C ATOM 316 O SER A 106 -7.090 -12.017 4.743 1.00 0.00 O ATOM 317 CB SER A 106 -5.194 -10.715 7.167 1.00 0.00 C ATOM 318 OG SER A 106 -3.889 -10.382 7.605 1.00 0.00 O ATOM 0 H SER A 106 -4.055 -10.530 4.990 1.00 0.00 H new ATOM 0 HA SER A 106 -4.636 -12.716 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.660 -9.844 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.809 -10.990 8.024 1.00 0.00 H new ATOM 0 HG SER A 106 -3.513 -9.694 7.018 1.00 0.00 H new ATOM 324 N GLN A 107 -7.219 -13.005 6.761 1.00 0.00 N ATOM 325 CA GLN A 107 -8.582 -13.482 6.561 1.00 0.00 C ATOM 326 C GLN A 107 -9.597 -12.437 7.015 1.00 0.00 C ATOM 327 O GLN A 107 -10.687 -12.334 6.454 1.00 0.00 O ATOM 328 CB GLN A 107 -8.804 -14.790 7.324 1.00 0.00 C ATOM 329 CG GLN A 107 -8.599 -16.033 6.473 1.00 0.00 C ATOM 330 CD GLN A 107 -7.152 -16.227 6.064 1.00 0.00 C ATOM 331 OE1 GLN A 107 -6.341 -16.741 6.834 1.00 0.00 O ATOM 332 NE2 GLN A 107 -6.821 -15.817 4.845 1.00 0.00 N ATOM 0 H GLN A 107 -6.813 -13.252 7.663 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.724 -13.662 5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.123 -14.825 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.817 -14.799 7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.936 -16.908 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.219 -15.963 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.526 -15.396 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.862 -15.923 4.514 1.00 0.00 H new ATOM 341 N GLN A 108 -9.229 -11.666 8.032 1.00 0.00 N ATOM 342 CA GLN A 108 -10.108 -10.630 8.561 1.00 0.00 C ATOM 343 C GLN A 108 -9.952 -9.331 7.777 1.00 0.00 C ATOM 344 O GLN A 108 -9.679 -8.277 8.351 1.00 0.00 O ATOM 345 CB GLN A 108 -9.810 -10.384 10.041 1.00 0.00 C ATOM 346 CG GLN A 108 -10.291 -11.502 10.953 1.00 0.00 C ATOM 347 CD GLN A 108 -11.747 -11.349 11.344 1.00 0.00 C ATOM 348 OE1 GLN A 108 -12.583 -12.192 11.016 1.00 0.00 O ATOM 349 NE2 GLN A 108 -12.060 -10.269 12.052 1.00 0.00 N ATOM 0 H GLN A 108 -8.329 -11.739 8.506 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.137 -10.975 8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.735 -10.258 10.170 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.280 -9.449 10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -10.152 -12.460 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -9.677 -11.521 11.853 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -11.336 -9.596 12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -13.024 -10.113 12.345 1.00 0.00 H new ATOM 358 N ASP A 109 -10.128 -9.415 6.463 1.00 0.00 N ATOM 359 CA ASP A 109 -10.007 -8.246 5.599 1.00 0.00 C ATOM 360 C ASP A 109 -11.382 -7.748 5.163 1.00 0.00 C ATOM 361 O ASP A 109 -11.544 -7.228 4.060 1.00 0.00 O ATOM 362 CB ASP A 109 -9.159 -8.578 4.371 1.00 0.00 C ATOM 363 CG ASP A 109 -8.177 -7.475 4.030 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.102 -7.420 4.663 1.00 0.00 O ATOM 365 OD2 ASP A 109 -8.482 -6.667 3.128 1.00 0.00 O ATOM 0 H ASP A 109 -10.355 -10.280 5.973 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.516 -7.455 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.613 -9.504 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.814 -8.754 3.518 1.00 0.00 H new ATOM 370 N ASP A 110 -12.369 -7.912 6.038 1.00 0.00 N ATOM 371 CA ASP A 110 -13.730 -7.479 5.744 1.00 0.00 C ATOM 372 C ASP A 110 -13.786 -5.969 5.532 1.00 0.00 C ATOM 373 O ASP A 110 -14.135 -5.497 4.449 1.00 0.00 O ATOM 374 CB ASP A 110 -14.672 -7.882 6.879 1.00 0.00 C ATOM 375 CG ASP A 110 -15.172 -9.306 6.739 1.00 0.00 C ATOM 376 OD1 ASP A 110 -15.205 -9.813 5.597 1.00 0.00 O ATOM 377 OD2 ASP A 110 -15.530 -9.915 7.769 1.00 0.00 O ATOM 0 H ASP A 110 -12.252 -8.341 6.956 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.050 -7.969 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.155 -7.774 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -15.523 -7.202 6.899 1.00 0.00 H new ATOM 382 N ILE A 111 -13.442 -5.217 6.572 1.00 0.00 N ATOM 383 CA ILE A 111 -13.454 -3.762 6.499 1.00 0.00 C ATOM 384 C ILE A 111 -12.036 -3.202 6.456 1.00 0.00 C ATOM 385 O ILE A 111 -11.751 -2.160 7.047 1.00 0.00 O ATOM 386 CB ILE A 111 -14.202 -3.144 7.695 1.00 0.00 C ATOM 387 CG1 ILE A 111 -13.550 -3.575 9.011 1.00 0.00 C ATOM 388 CG2 ILE A 111 -15.669 -3.547 7.668 1.00 0.00 C ATOM 389 CD1 ILE A 111 -14.134 -2.892 10.227 1.00 0.00 C ATOM 0 H ILE A 111 -13.152 -5.592 7.475 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.975 -3.497 5.579 1.00 0.00 H new ATOM 0 HB ILE A 111 -14.142 -2.058 7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -13.657 -4.654 9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -12.482 -3.364 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -16.184 -3.102 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -16.126 -3.195 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -15.749 -4.633 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -13.624 -3.246 11.123 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -14.003 -1.814 10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -15.197 -3.124 10.299 1.00 0.00 H new ATOM 401 N ASP A 112 -11.151 -3.900 5.754 1.00 0.00 N ATOM 402 CA ASP A 112 -9.763 -3.472 5.631 1.00 0.00 C ATOM 403 C ASP A 112 -9.438 -3.087 4.191 1.00 0.00 C ATOM 404 O ASP A 112 -8.582 -2.237 3.943 1.00 0.00 O ATOM 405 CB ASP A 112 -8.821 -4.582 6.099 1.00 0.00 C ATOM 406 CG ASP A 112 -7.600 -4.041 6.817 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.908 -3.175 6.242 1.00 0.00 O ATOM 408 OD2 ASP A 112 -7.337 -4.483 7.955 1.00 0.00 O ATOM 0 H ASP A 112 -11.370 -4.766 5.261 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.622 -2.595 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.361 -5.256 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -8.502 -5.170 5.239 1.00 0.00 H new ATOM 413 N PHE A 113 -10.126 -3.717 3.246 1.00 0.00 N ATOM 414 CA PHE A 113 -9.910 -3.442 1.829 1.00 0.00 C ATOM 415 C PHE A 113 -10.087 -1.956 1.531 1.00 0.00 C ATOM 416 O PHE A 113 -9.410 -1.399 0.667 1.00 0.00 O ATOM 417 CB PHE A 113 -10.877 -4.264 0.975 1.00 0.00 C ATOM 418 CG PHE A 113 -10.477 -4.346 -0.469 1.00 0.00 C ATOM 419 CD1 PHE A 113 -9.632 -5.351 -0.912 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.947 -3.419 -1.386 1.00 0.00 C ATOM 421 CE1 PHE A 113 -9.262 -5.430 -2.242 1.00 0.00 C ATOM 422 CE2 PHE A 113 -10.581 -3.493 -2.716 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.737 -4.499 -3.144 1.00 0.00 C ATOM 0 H PHE A 113 -10.839 -4.422 3.435 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.887 -3.725 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.943 -5.272 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.873 -3.826 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.258 -6.081 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -11.607 -2.630 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.603 -6.218 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.955 -2.765 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.449 -4.557 -4.183 1.00 0.00 H new ATOM 433 N LYS A 114 -11.003 -1.319 2.253 1.00 0.00 N ATOM 434 CA LYS A 114 -11.270 0.103 2.068 1.00 0.00 C ATOM 435 C LYS A 114 -10.019 0.932 2.338 1.00 0.00 C ATOM 436 O LYS A 114 -9.602 1.733 1.502 1.00 0.00 O ATOM 437 CB LYS A 114 -12.403 0.554 2.993 1.00 0.00 C ATOM 438 CG LYS A 114 -13.523 1.283 2.272 1.00 0.00 C ATOM 439 CD LYS A 114 -14.547 0.313 1.706 1.00 0.00 C ATOM 440 CE LYS A 114 -14.917 0.666 0.274 1.00 0.00 C ATOM 441 NZ LYS A 114 -15.743 1.903 0.202 1.00 0.00 N ATOM 0 H LYS A 114 -11.573 -1.765 2.972 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.570 0.259 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.816 -0.318 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.993 1.207 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.014 1.970 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.106 1.885 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.147 -0.701 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.442 0.324 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.008 0.802 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.465 -0.163 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.974 2.109 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.622 1.765 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.211 2.700 0.606 1.00 0.00 H new ATOM 455 N ARG A 115 -9.424 0.732 3.510 1.00 0.00 N ATOM 456 CA ARG A 115 -8.219 1.462 3.889 1.00 0.00 C ATOM 457 C ARG A 115 -7.052 1.093 2.978 1.00 0.00 C ATOM 458 O ARG A 115 -6.292 1.959 2.545 1.00 0.00 O ATOM 459 CB ARG A 115 -7.856 1.167 5.345 1.00 0.00 C ATOM 460 CG ARG A 115 -7.719 2.415 6.202 1.00 0.00 C ATOM 461 CD ARG A 115 -6.268 2.855 6.317 1.00 0.00 C ATOM 462 NE ARG A 115 -6.047 4.172 5.726 1.00 0.00 N ATOM 463 CZ ARG A 115 -4.844 4.712 5.564 1.00 0.00 C ATOM 464 NH1 ARG A 115 -3.760 4.051 5.945 1.00 0.00 N ATOM 465 NH2 ARG A 115 -4.724 5.916 5.019 1.00 0.00 N ATOM 0 H ARG A 115 -9.756 0.071 4.213 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.420 2.528 3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.620 0.521 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.918 0.613 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.312 3.221 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.121 2.221 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.978 2.876 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.627 2.124 5.824 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.861 4.706 5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.848 3.125 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.838 4.468 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.556 6.428 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.800 6.330 4.895 1.00 0.00 H new ATOM 479 N ALA A 116 -6.915 -0.197 2.692 1.00 0.00 N ATOM 480 CA ALA A 116 -5.841 -0.680 1.832 1.00 0.00 C ATOM 481 C ALA A 116 -5.875 0.009 0.472 1.00 0.00 C ATOM 482 O ALA A 116 -4.839 0.198 -0.163 1.00 0.00 O ATOM 483 CB ALA A 116 -5.938 -2.189 1.664 1.00 0.00 C ATOM 0 H ALA A 116 -7.534 -0.927 3.043 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.891 -0.439 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.130 -2.536 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -5.857 -2.670 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.897 -2.444 1.213 1.00 0.00 H new ATOM 489 N GLU A 117 -7.073 0.382 0.033 1.00 0.00 N ATOM 490 CA GLU A 117 -7.241 1.048 -1.253 1.00 0.00 C ATOM 491 C GLU A 117 -6.759 2.495 -1.183 1.00 0.00 C ATOM 492 O GLU A 117 -5.947 2.931 -2.000 1.00 0.00 O ATOM 493 CB GLU A 117 -8.708 1.009 -1.685 1.00 0.00 C ATOM 494 CG GLU A 117 -8.914 1.301 -3.162 1.00 0.00 C ATOM 495 CD GLU A 117 -9.931 2.400 -3.403 1.00 0.00 C ATOM 496 OE1 GLU A 117 -11.049 2.305 -2.855 1.00 0.00 O ATOM 497 OE2 GLU A 117 -9.608 3.356 -4.138 1.00 0.00 O ATOM 0 H GLU A 117 -7.941 0.234 0.549 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.638 0.517 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.120 0.026 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.271 1.735 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.962 1.588 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.241 0.392 -3.666 1.00 0.00 H new ATOM 504 N LEU A 118 -7.264 3.233 -0.201 1.00 0.00 N ATOM 505 CA LEU A 118 -6.887 4.631 -0.023 1.00 0.00 C ATOM 506 C LEU A 118 -5.385 4.764 0.207 1.00 0.00 C ATOM 507 O LEU A 118 -4.737 5.647 -0.355 1.00 0.00 O ATOM 508 CB LEU A 118 -7.650 5.240 1.154 1.00 0.00 C ATOM 509 CG LEU A 118 -8.734 6.258 0.796 1.00 0.00 C ATOM 510 CD1 LEU A 118 -10.116 5.686 1.073 1.00 0.00 C ATOM 511 CD2 LEU A 118 -8.526 7.552 1.568 1.00 0.00 C ATOM 0 H LEU A 118 -7.936 2.887 0.484 1.00 0.00 H new ATOM 0 HA LEU A 118 -7.146 5.170 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.112 4.431 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.931 5.722 1.817 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.661 6.478 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.874 6.424 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.264 4.787 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.201 5.436 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.306 8.265 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.571 7.349 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.551 7.971 1.319 1.00 0.00 H new ATOM 523 N ALA A 119 -4.837 3.880 1.034 1.00 0.00 N ATOM 524 CA ALA A 119 -3.411 3.897 1.334 1.00 0.00 C ATOM 525 C ALA A 119 -2.583 3.635 0.081 1.00 0.00 C ATOM 526 O ALA A 119 -1.609 4.339 -0.190 1.00 0.00 O ATOM 527 CB ALA A 119 -3.086 2.869 2.408 1.00 0.00 C ATOM 0 H ALA A 119 -5.359 3.143 1.508 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.155 4.889 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.018 2.892 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.643 3.102 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.364 1.875 2.057 1.00 0.00 H new ATOM 533 N LEU A 120 -2.974 2.618 -0.679 1.00 0.00 N ATOM 534 CA LEU A 120 -2.267 2.263 -1.904 1.00 0.00 C ATOM 535 C LEU A 120 -2.281 3.421 -2.897 1.00 0.00 C ATOM 536 O LEU A 120 -1.304 3.656 -3.608 1.00 0.00 O ATOM 537 CB LEU A 120 -2.900 1.023 -2.539 1.00 0.00 C ATOM 538 CG LEU A 120 -2.047 0.291 -3.577 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.071 -0.655 -2.893 1.00 0.00 C ATOM 540 CD2 LEU A 120 -2.931 -0.467 -4.556 1.00 0.00 C ATOM 0 H LEU A 120 -3.777 2.025 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.231 2.044 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.152 0.321 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.837 1.319 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.474 1.031 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.472 -1.167 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.415 -0.087 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.625 -1.390 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.307 -0.981 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.532 -1.197 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.589 0.234 -5.070 1.00 0.00 H new ATOM 552 N LYS A 121 -3.396 4.143 -2.938 1.00 0.00 N ATOM 553 CA LYS A 121 -3.538 5.280 -3.841 1.00 0.00 C ATOM 554 C LYS A 121 -2.502 6.355 -3.528 1.00 0.00 C ATOM 555 O LYS A 121 -1.815 6.848 -4.424 1.00 0.00 O ATOM 556 CB LYS A 121 -4.946 5.868 -3.735 1.00 0.00 C ATOM 557 CG LYS A 121 -5.530 6.293 -5.072 1.00 0.00 C ATOM 558 CD LYS A 121 -6.697 5.409 -5.477 1.00 0.00 C ATOM 559 CE LYS A 121 -6.717 5.165 -6.979 1.00 0.00 C ATOM 560 NZ LYS A 121 -5.560 4.339 -7.421 1.00 0.00 N ATOM 0 H LYS A 121 -4.214 3.961 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.374 4.927 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.605 5.130 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.922 6.730 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.861 7.330 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.756 6.249 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.631 4.455 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.633 5.877 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.646 4.665 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.702 6.121 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -5.796 3.860 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.732 4.951 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.343 3.629 -6.693 1.00 0.00 H new ATOM 574 N ARG A 122 -2.393 6.713 -2.253 1.00 0.00 N ATOM 575 CA ARG A 122 -1.440 7.729 -1.824 1.00 0.00 C ATOM 576 C ARG A 122 -0.011 7.311 -2.157 1.00 0.00 C ATOM 577 O ARG A 122 0.788 8.118 -2.632 1.00 0.00 O ATOM 578 CB ARG A 122 -1.572 7.979 -0.321 1.00 0.00 C ATOM 579 CG ARG A 122 -2.032 9.386 0.026 1.00 0.00 C ATOM 580 CD ARG A 122 -2.620 9.451 1.426 1.00 0.00 C ATOM 581 NE ARG A 122 -3.578 10.544 1.567 1.00 0.00 N ATOM 582 CZ ARG A 122 -4.017 10.989 2.739 1.00 0.00 C ATOM 583 NH1 ARG A 122 -3.586 10.438 3.865 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.889 11.989 2.785 1.00 0.00 N ATOM 0 H ARG A 122 -2.953 6.315 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.664 8.651 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.278 7.262 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.609 7.793 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -1.190 10.074 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -2.777 9.715 -0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -3.112 8.506 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.816 9.578 2.151 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.929 10.990 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.915 9.670 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.925 10.782 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -5.222 12.416 1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.226 12.331 3.685 1.00 0.00 H new ATOM 598 N ALA A 123 0.303 6.044 -1.905 1.00 0.00 N ATOM 599 CA ALA A 123 1.634 5.518 -2.181 1.00 0.00 C ATOM 600 C ALA A 123 1.972 5.626 -3.664 1.00 0.00 C ATOM 601 O ALA A 123 3.043 6.106 -4.033 1.00 0.00 O ATOM 602 CB ALA A 123 1.737 4.072 -1.718 1.00 0.00 C ATOM 0 H ALA A 123 -0.346 5.363 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 123 2.356 6.118 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.736 3.692 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.549 4.019 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.999 3.468 -2.246 1.00 0.00 H new ATOM 608 N MET A 124 1.051 5.175 -4.510 1.00 0.00 N ATOM 609 CA MET A 124 1.252 5.221 -5.953 1.00 0.00 C ATOM 610 C MET A 124 1.529 6.647 -6.418 1.00 0.00 C ATOM 611 O MET A 124 2.383 6.876 -7.275 1.00 0.00 O ATOM 612 CB MET A 124 0.025 4.666 -6.679 1.00 0.00 C ATOM 613 CG MET A 124 0.097 3.170 -6.937 1.00 0.00 C ATOM 614 SD MET A 124 1.216 2.752 -8.288 1.00 0.00 S ATOM 615 CE MET A 124 0.195 3.140 -9.708 1.00 0.00 C ATOM 0 H MET A 124 0.159 4.774 -4.221 1.00 0.00 H new ATOM 0 HA MET A 124 2.118 4.604 -6.193 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.865 4.882 -6.088 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.090 5.185 -7.630 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.425 2.664 -6.029 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.901 2.796 -7.168 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.229 2.313 -10.417 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.834 3.298 -9.384 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.568 4.045 -10.188 1.00 0.00 H new ATOM 625 N ASN A 125 0.803 7.603 -5.847 1.00 0.00 N ATOM 626 CA ASN A 125 0.971 9.007 -6.203 1.00 0.00 C ATOM 627 C ASN A 125 2.365 9.501 -5.828 1.00 0.00 C ATOM 628 O ASN A 125 3.040 10.152 -6.625 1.00 0.00 O ATOM 629 CB ASN A 125 -0.090 9.862 -5.509 1.00 0.00 C ATOM 630 CG ASN A 125 -0.442 11.105 -6.303 1.00 0.00 C ATOM 631 OD1 ASN A 125 -1.357 11.091 -7.125 1.00 0.00 O ATOM 632 ND2 ASN A 125 0.286 12.189 -6.058 1.00 0.00 N ATOM 0 H ASN A 125 0.093 7.431 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 125 0.851 9.098 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.989 9.266 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.271 10.154 -4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 125 0.095 13.056 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 125 1.036 12.155 -5.367 1.00 0.00 H new ATOM 639 N ARG A 126 2.789 9.186 -4.608 1.00 0.00 N ATOM 640 CA ARG A 126 4.102 9.598 -4.127 1.00 0.00 C ATOM 641 C ARG A 126 5.211 8.971 -4.966 1.00 0.00 C ATOM 642 O ARG A 126 6.150 9.652 -5.382 1.00 0.00 O ATOM 643 CB ARG A 126 4.276 9.204 -2.658 1.00 0.00 C ATOM 644 CG ARG A 126 4.523 10.387 -1.736 1.00 0.00 C ATOM 645 CD ARG A 126 3.345 11.349 -1.737 1.00 0.00 C ATOM 646 NE ARG A 126 3.353 12.226 -0.569 1.00 0.00 N ATOM 647 CZ ARG A 126 2.529 13.256 -0.417 1.00 0.00 C ATOM 648 NH1 ARG A 126 1.635 13.538 -1.356 1.00 0.00 N ATOM 649 NH2 ARG A 126 2.598 14.008 0.673 1.00 0.00 N ATOM 0 H ARG A 126 2.243 8.647 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 126 4.170 10.682 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.384 8.674 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.110 8.508 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.701 10.029 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.424 10.913 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.371 11.953 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.414 10.782 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 126 4.029 12.037 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.580 12.963 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.003 14.330 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.285 13.796 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.964 14.799 0.788 1.00 0.00 H new ATOM 663 N LEU A 127 5.097 7.671 -5.214 1.00 0.00 N ATOM 664 CA LEU A 127 6.089 6.952 -6.004 1.00 0.00 C ATOM 665 C LEU A 127 6.244 7.580 -7.385 1.00 0.00 C ATOM 666 O LEU A 127 7.336 7.592 -7.955 1.00 0.00 O ATOM 667 CB LEU A 127 5.693 5.481 -6.141 1.00 0.00 C ATOM 668 CG LEU A 127 6.791 4.532 -6.622 1.00 0.00 C ATOM 669 CD1 LEU A 127 6.634 3.164 -5.977 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.769 4.414 -8.139 1.00 0.00 C ATOM 0 H LEU A 127 4.326 7.093 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 127 7.046 7.017 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.336 5.130 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.854 5.414 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 127 7.755 4.943 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.424 2.502 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.702 3.263 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 127 5.663 2.745 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.557 3.735 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.802 4.027 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.932 5.396 -8.583 1.00 0.00 H new ATOM 682 N SER A 128 5.145 8.103 -7.919 1.00 0.00 N ATOM 683 CA SER A 128 5.158 8.732 -9.234 1.00 0.00 C ATOM 684 C SER A 128 5.934 10.045 -9.201 1.00 0.00 C ATOM 685 O SER A 128 6.783 10.300 -10.056 1.00 0.00 O ATOM 686 CB SER A 128 3.728 8.984 -9.716 1.00 0.00 C ATOM 687 OG SER A 128 3.609 8.743 -11.108 1.00 0.00 O ATOM 0 H SER A 128 4.234 8.103 -7.461 1.00 0.00 H new ATOM 0 HA SER A 128 5.654 8.054 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 128 3.038 8.339 -9.172 1.00 0.00 H new ATOM 0 HB3 SER A 128 3.443 10.013 -9.496 1.00 0.00 H new ATOM 0 HG SER A 128 2.686 8.909 -11.391 1.00 0.00 H new ATOM 693 N VAL A 129 5.637 10.876 -8.207 1.00 0.00 N ATOM 694 CA VAL A 129 6.306 12.163 -8.060 1.00 0.00 C ATOM 695 C VAL A 129 7.804 11.981 -7.842 1.00 0.00 C ATOM 696 O VAL A 129 8.611 12.786 -8.305 1.00 0.00 O ATOM 697 CB VAL A 129 5.721 12.969 -6.886 1.00 0.00 C ATOM 698 CG1 VAL A 129 6.390 14.332 -6.787 1.00 0.00 C ATOM 699 CG2 VAL A 129 4.215 13.115 -7.037 1.00 0.00 C ATOM 0 H VAL A 129 4.937 10.681 -7.491 1.00 0.00 H new ATOM 0 HA VAL A 129 6.141 12.714 -8.986 1.00 0.00 H new ATOM 0 HB VAL A 129 5.919 12.426 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.963 14.887 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.460 14.201 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.226 14.886 -7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.819 13.687 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.991 13.635 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.753 12.128 -7.053 1.00 0.00 H new ATOM 709 N ALA A 130 8.168 10.918 -7.134 1.00 0.00 N ATOM 710 CA ALA A 130 9.570 10.628 -6.856 1.00 0.00 C ATOM 711 C ALA A 130 10.369 10.495 -8.147 1.00 0.00 C ATOM 712 O ALA A 130 11.374 11.179 -8.339 1.00 0.00 O ATOM 713 CB ALA A 130 9.692 9.360 -6.024 1.00 0.00 C ATOM 0 H ALA A 130 7.512 10.243 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 130 9.982 11.462 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.744 9.156 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 130 9.162 9.492 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 130 9.257 8.523 -6.571 1.00 0.00 H new ATOM 719 N GLU A 131 9.916 9.610 -9.030 1.00 0.00 N ATOM 720 CA GLU A 131 10.592 9.388 -10.304 1.00 0.00 C ATOM 721 C GLU A 131 10.821 10.707 -11.035 1.00 0.00 C ATOM 722 O GLU A 131 11.960 11.101 -11.283 1.00 0.00 O ATOM 723 CB GLU A 131 9.773 8.439 -11.181 1.00 0.00 C ATOM 724 CG GLU A 131 10.556 7.232 -11.669 1.00 0.00 C ATOM 725 CD GLU A 131 11.249 7.482 -12.994 1.00 0.00 C ATOM 726 OE1 GLU A 131 12.126 8.370 -13.046 1.00 0.00 O ATOM 727 OE2 GLU A 131 10.914 6.791 -13.979 1.00 0.00 O ATOM 0 H GLU A 131 9.085 9.036 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 131 11.562 8.935 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.906 8.095 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.396 8.989 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.300 6.959 -10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 131 9.880 6.383 -11.771 1.00 0.00 H new ATOM 734 N MET A 132 9.730 11.383 -11.379 1.00 0.00 N ATOM 735 CA MET A 132 9.812 12.658 -12.082 1.00 0.00 C ATOM 736 C MET A 132 9.820 13.823 -11.098 1.00 0.00 C ATOM 737 O MET A 132 9.158 14.838 -11.315 1.00 0.00 O ATOM 738 CB MET A 132 8.639 12.805 -13.054 1.00 0.00 C ATOM 739 CG MET A 132 8.795 11.983 -14.324 1.00 0.00 C ATOM 740 SD MET A 132 7.225 11.336 -14.929 1.00 0.00 S ATOM 741 CE MET A 132 6.195 12.797 -14.828 1.00 0.00 C ATOM 0 H MET A 132 8.779 11.070 -11.183 1.00 0.00 H new ATOM 0 HA MET A 132 10.746 12.674 -12.644 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.720 12.508 -12.549 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.530 13.856 -13.322 1.00 0.00 H new ATOM 0 HG2 MET A 132 9.252 12.600 -15.098 1.00 0.00 H new ATOM 0 HG3 MET A 132 9.476 11.154 -14.134 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.365 12.706 -15.529 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.805 12.898 -13.815 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.787 13.677 -15.078 1.00 0.00 H new ATOM 751 N LYS A 133 10.574 13.670 -10.014 1.00 0.00 N ATOM 752 CA LYS A 133 10.669 14.709 -8.996 1.00 0.00 C ATOM 753 C LYS A 133 11.197 16.010 -9.593 1.00 0.00 C ATOM 754 O LYS A 133 10.493 17.019 -9.630 1.00 0.00 O ATOM 755 CB LYS A 133 11.582 14.252 -7.856 1.00 0.00 C ATOM 756 CG LYS A 133 13.007 13.964 -8.295 1.00 0.00 C ATOM 757 CD LYS A 133 13.997 14.195 -7.166 1.00 0.00 C ATOM 758 CE LYS A 133 14.533 12.882 -6.616 1.00 0.00 C ATOM 759 NZ LYS A 133 13.489 12.126 -5.869 1.00 0.00 N ATOM 0 H LYS A 133 11.128 12.836 -9.818 1.00 0.00 H new ATOM 0 HA LYS A 133 9.669 14.890 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 133 11.597 15.021 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.162 13.354 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.081 12.932 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.264 14.602 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 133 14.825 14.805 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.513 14.755 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.907 12.270 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.378 13.082 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.930 11.327 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.031 12.756 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 12.777 11.766 -6.536 1.00 0.00 H new