USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.39) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0772) 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 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -159:sc= -0.0758 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 89 11.745 8.358 0.388 1.00 0.00 N ATOM 21 CA ASP A 89 12.782 7.382 0.074 1.00 0.00 C ATOM 22 C ASP A 89 12.175 6.125 -0.543 1.00 0.00 C ATOM 23 O ASP A 89 11.043 5.753 -0.232 1.00 0.00 O ATOM 24 CB ASP A 89 13.570 7.019 1.332 1.00 0.00 C ATOM 25 CG ASP A 89 15.017 7.466 1.259 1.00 0.00 C ATOM 26 OD1 ASP A 89 15.731 7.017 0.337 1.00 0.00 O ATOM 27 OD2 ASP A 89 15.435 8.265 2.122 1.00 0.00 O ATOM 0 HA ASP A 89 13.461 7.830 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 89 13.095 7.477 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.533 5.940 1.481 1.00 0.00 H new ATOM 32 N VAL A 90 12.936 5.475 -1.418 1.00 0.00 N ATOM 33 CA VAL A 90 12.474 4.260 -2.077 1.00 0.00 C ATOM 34 C VAL A 90 12.190 3.158 -1.064 1.00 0.00 C ATOM 35 O VAL A 90 11.155 2.494 -1.125 1.00 0.00 O ATOM 36 CB VAL A 90 13.506 3.749 -3.099 1.00 0.00 C ATOM 37 CG1 VAL A 90 12.965 2.540 -3.847 1.00 0.00 C ATOM 38 CG2 VAL A 90 13.890 4.858 -4.068 1.00 0.00 C ATOM 0 H VAL A 90 13.875 5.770 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 90 11.552 4.515 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 90 14.402 3.441 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.709 2.193 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.745 1.742 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.053 2.817 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.620 4.479 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.002 5.199 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.323 5.691 -3.514 1.00 0.00 H new ATOM 48 N LEU A 91 13.116 2.968 -0.130 1.00 0.00 N ATOM 49 CA LEU A 91 12.966 1.946 0.898 1.00 0.00 C ATOM 50 C LEU A 91 11.670 2.143 1.678 1.00 0.00 C ATOM 51 O LEU A 91 11.030 1.177 2.091 1.00 0.00 O ATOM 52 CB LEU A 91 14.159 1.979 1.855 1.00 0.00 C ATOM 53 CG LEU A 91 15.471 1.411 1.312 1.00 0.00 C ATOM 54 CD1 LEU A 91 16.610 1.675 2.285 1.00 0.00 C ATOM 55 CD2 LEU A 91 15.335 -0.079 1.039 1.00 0.00 C ATOM 0 H LEU A 91 13.978 3.509 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 91 12.928 0.974 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.330 3.013 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.892 1.426 2.756 1.00 0.00 H new ATOM 0 HG LEU A 91 15.700 1.912 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.536 1.264 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.723 2.749 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.389 1.201 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.278 -0.466 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.082 -0.597 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.547 -0.244 0.304 1.00 0.00 H new ATOM 67 N ARG A 92 11.288 3.401 1.871 1.00 0.00 N ATOM 68 CA ARG A 92 10.067 3.726 2.599 1.00 0.00 C ATOM 69 C ARG A 92 8.835 3.251 1.834 1.00 0.00 C ATOM 70 O ARG A 92 8.024 2.488 2.357 1.00 0.00 O ATOM 71 CB ARG A 92 9.979 5.233 2.844 1.00 0.00 C ATOM 72 CG ARG A 92 9.705 5.600 4.293 1.00 0.00 C ATOM 73 CD ARG A 92 10.896 5.283 5.183 1.00 0.00 C ATOM 74 NE ARG A 92 10.552 4.341 6.245 1.00 0.00 N ATOM 75 CZ ARG A 92 11.376 4.016 7.235 1.00 0.00 C ATOM 76 NH1 ARG A 92 12.586 4.554 7.299 1.00 0.00 N ATOM 77 NH2 ARG A 92 10.990 3.150 8.164 1.00 0.00 N ATOM 0 H ARG A 92 11.806 4.212 1.533 1.00 0.00 H new ATOM 0 HA ARG A 92 10.098 3.211 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.913 5.699 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.190 5.649 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.470 6.662 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.829 5.056 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.701 4.867 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.274 6.205 5.625 1.00 0.00 H new ATOM 0 HE ARG A 92 9.628 3.909 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.887 5.220 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.216 4.302 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.060 2.733 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.623 2.901 8.924 1.00 0.00 H new ATOM 91 N ALA A 93 8.703 3.709 0.594 1.00 0.00 N ATOM 92 CA ALA A 93 7.571 3.331 -0.243 1.00 0.00 C ATOM 93 C ALA A 93 7.517 1.820 -0.442 1.00 0.00 C ATOM 94 O ALA A 93 6.440 1.223 -0.459 1.00 0.00 O ATOM 95 CB ALA A 93 7.649 4.040 -1.586 1.00 0.00 C ATOM 0 H ALA A 93 9.366 4.342 0.147 1.00 0.00 H new ATOM 0 HA ALA A 93 6.656 3.637 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.798 3.749 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.632 5.119 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.574 3.762 -2.091 1.00 0.00 H new ATOM 101 N LYS A 94 8.685 1.206 -0.593 1.00 0.00 N ATOM 102 CA LYS A 94 8.772 -0.236 -0.791 1.00 0.00 C ATOM 103 C LYS A 94 8.064 -0.984 0.334 1.00 0.00 C ATOM 104 O LYS A 94 7.216 -1.840 0.086 1.00 0.00 O ATOM 105 CB LYS A 94 10.237 -0.675 -0.865 1.00 0.00 C ATOM 106 CG LYS A 94 10.444 -1.980 -1.614 1.00 0.00 C ATOM 107 CD LYS A 94 11.166 -1.758 -2.933 1.00 0.00 C ATOM 108 CE LYS A 94 10.822 -2.839 -3.946 1.00 0.00 C ATOM 109 NZ LYS A 94 9.561 -2.533 -4.676 1.00 0.00 N ATOM 0 H LYS A 94 9.586 1.685 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 94 8.278 -0.478 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.818 0.109 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.627 -0.781 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.019 -2.669 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.479 -2.450 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.897 -0.782 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.243 -1.747 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.639 -2.941 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.723 -3.797 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.361 -3.293 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.776 -2.460 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.664 -1.631 -5.184 1.00 0.00 H new ATOM 123 N ALA A 95 8.417 -0.652 1.571 1.00 0.00 N ATOM 124 CA ALA A 95 7.812 -1.290 2.735 1.00 0.00 C ATOM 125 C ALA A 95 6.314 -1.012 2.795 1.00 0.00 C ATOM 126 O ALA A 95 5.529 -1.874 3.191 1.00 0.00 O ATOM 127 CB ALA A 95 8.492 -0.813 4.010 1.00 0.00 C ATOM 0 H ALA A 95 9.118 0.054 1.794 1.00 0.00 H new ATOM 0 HA ALA A 95 7.951 -2.367 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.031 -1.297 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.551 -1.068 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.382 0.268 4.099 1.00 0.00 H new ATOM 133 N ALA A 96 5.924 0.196 2.403 1.00 0.00 N ATOM 134 CA ALA A 96 4.520 0.586 2.411 1.00 0.00 C ATOM 135 C ALA A 96 3.684 -0.353 1.548 1.00 0.00 C ATOM 136 O ALA A 96 2.570 -0.727 1.918 1.00 0.00 O ATOM 137 CB ALA A 96 4.368 2.022 1.933 1.00 0.00 C ATOM 0 H ALA A 96 6.561 0.922 2.076 1.00 0.00 H new ATOM 0 HA ALA A 96 4.155 0.516 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.314 2.300 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.925 2.686 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.756 2.111 0.918 1.00 0.00 H new ATOM 143 N LYS A 97 4.227 -0.731 0.396 1.00 0.00 N ATOM 144 CA LYS A 97 3.532 -1.627 -0.519 1.00 0.00 C ATOM 145 C LYS A 97 3.464 -3.041 0.049 1.00 0.00 C ATOM 146 O LYS A 97 2.434 -3.707 -0.045 1.00 0.00 O ATOM 147 CB LYS A 97 4.236 -1.646 -1.878 1.00 0.00 C ATOM 148 CG LYS A 97 3.295 -1.876 -3.047 1.00 0.00 C ATOM 149 CD LYS A 97 2.986 -3.352 -3.232 1.00 0.00 C ATOM 150 CE LYS A 97 3.906 -3.990 -4.261 1.00 0.00 C ATOM 151 NZ LYS A 97 3.517 -5.397 -4.557 1.00 0.00 N ATOM 0 H LYS A 97 5.147 -0.430 0.074 1.00 0.00 H new ATOM 0 HA LYS A 97 2.515 -1.257 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.756 -0.699 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.995 -2.429 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.368 -1.327 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.742 -1.480 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.091 -3.869 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.949 -3.471 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.882 -3.406 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.932 -3.966 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.168 -5.796 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.564 -5.961 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.547 -5.418 -4.931 1.00 0.00 H new ATOM 165 N GLU A 98 4.567 -3.491 0.639 1.00 0.00 N ATOM 166 CA GLU A 98 4.629 -4.825 1.222 1.00 0.00 C ATOM 167 C GLU A 98 3.564 -4.998 2.301 1.00 0.00 C ATOM 168 O GLU A 98 2.890 -6.027 2.364 1.00 0.00 O ATOM 169 CB GLU A 98 6.017 -5.082 1.815 1.00 0.00 C ATOM 170 CG GLU A 98 6.669 -6.357 1.306 1.00 0.00 C ATOM 171 CD GLU A 98 8.180 -6.326 1.423 1.00 0.00 C ATOM 172 OE1 GLU A 98 8.692 -6.494 2.550 1.00 0.00 O ATOM 173 OE2 GLU A 98 8.852 -6.133 0.388 1.00 0.00 O ATOM 0 H GLU A 98 5.428 -2.952 0.726 1.00 0.00 H new ATOM 0 HA GLU A 98 4.439 -5.549 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.664 -4.236 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.935 -5.134 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.282 -7.208 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.392 -6.511 0.263 1.00 0.00 H new ATOM 180 N ARG A 99 3.419 -3.985 3.148 1.00 0.00 N ATOM 181 CA ARG A 99 2.438 -4.025 4.226 1.00 0.00 C ATOM 182 C ARG A 99 1.039 -4.293 3.678 1.00 0.00 C ATOM 183 O ARG A 99 0.294 -5.108 4.222 1.00 0.00 O ATOM 184 CB ARG A 99 2.448 -2.707 5.004 1.00 0.00 C ATOM 185 CG ARG A 99 3.603 -2.588 5.984 1.00 0.00 C ATOM 186 CD ARG A 99 3.163 -1.939 7.287 1.00 0.00 C ATOM 187 NE ARG A 99 4.288 -1.370 8.024 1.00 0.00 N ATOM 188 CZ ARG A 99 5.130 -2.094 8.754 1.00 0.00 C ATOM 189 NH1 ARG A 99 4.973 -3.407 8.845 1.00 0.00 N ATOM 190 NH2 ARG A 99 6.130 -1.503 9.395 1.00 0.00 N ATOM 0 H ARG A 99 3.968 -3.126 3.109 1.00 0.00 H new ATOM 0 HA ARG A 99 2.709 -4.838 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.495 -1.878 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.509 -2.609 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.011 -3.578 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.403 -2.000 5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.436 -1.155 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.660 -2.680 7.909 1.00 0.00 H new ATOM 0 HE ARG A 99 4.436 -0.362 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.205 -3.864 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.621 -3.960 9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.253 -0.493 9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.776 -2.059 9.955 1.00 0.00 H new ATOM 204 N ALA A 100 0.689 -3.601 2.598 1.00 0.00 N ATOM 205 CA ALA A 100 -0.618 -3.765 1.976 1.00 0.00 C ATOM 206 C ALA A 100 -0.785 -5.172 1.412 1.00 0.00 C ATOM 207 O ALA A 100 -1.865 -5.757 1.487 1.00 0.00 O ATOM 208 CB ALA A 100 -0.816 -2.729 0.880 1.00 0.00 C ATOM 0 H ALA A 100 1.293 -2.921 2.136 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.378 -3.616 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.797 -2.864 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.749 -1.729 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.044 -2.851 0.121 1.00 0.00 H new ATOM 214 N GLU A 101 0.292 -5.710 0.847 1.00 0.00 N ATOM 215 CA GLU A 101 0.263 -7.048 0.269 1.00 0.00 C ATOM 216 C GLU A 101 -0.123 -8.086 1.320 1.00 0.00 C ATOM 217 O GLU A 101 -0.877 -9.017 1.039 1.00 0.00 O ATOM 218 CB GLU A 101 1.625 -7.397 -0.332 1.00 0.00 C ATOM 219 CG GLU A 101 1.600 -7.556 -1.843 1.00 0.00 C ATOM 220 CD GLU A 101 2.715 -8.449 -2.355 1.00 0.00 C ATOM 221 OE1 GLU A 101 3.666 -8.708 -1.588 1.00 0.00 O ATOM 222 OE2 GLU A 101 2.634 -8.888 -3.520 1.00 0.00 O ATOM 0 H GLU A 101 1.194 -5.240 0.778 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.488 -7.059 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.340 -6.617 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.984 -8.323 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.639 -7.972 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.683 -6.574 -2.309 1.00 0.00 H new ATOM 229 N ARG A 102 0.402 -7.919 2.529 1.00 0.00 N ATOM 230 CA ARG A 102 0.115 -8.841 3.620 1.00 0.00 C ATOM 231 C ARG A 102 -1.296 -8.624 4.158 1.00 0.00 C ATOM 232 O ARG A 102 -1.948 -9.564 4.615 1.00 0.00 O ATOM 233 CB ARG A 102 1.135 -8.664 4.747 1.00 0.00 C ATOM 234 CG ARG A 102 2.297 -9.641 4.676 1.00 0.00 C ATOM 235 CD ARG A 102 3.526 -9.097 5.387 1.00 0.00 C ATOM 236 NE ARG A 102 4.764 -9.491 4.719 1.00 0.00 N ATOM 237 CZ ARG A 102 5.959 -9.436 5.295 1.00 0.00 C ATOM 238 NH1 ARG A 102 6.078 -9.007 6.544 1.00 0.00 N ATOM 239 NH2 ARG A 102 7.040 -9.812 4.622 1.00 0.00 N ATOM 0 H ARG A 102 1.029 -7.153 2.777 1.00 0.00 H new ATOM 0 HA ARG A 102 0.185 -9.857 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.525 -7.646 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.629 -8.783 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.005 -10.589 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.539 -9.845 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.468 -8.009 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.539 -9.457 6.416 1.00 0.00 H new ATOM 0 HE ARG A 102 4.707 -9.827 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.250 -8.718 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.997 -8.966 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.953 -10.144 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.957 -9.769 5.066 1.00 0.00 H new ATOM 253 N ARG A 103 -1.761 -7.381 4.102 1.00 0.00 N ATOM 254 CA ARG A 103 -3.094 -7.040 4.585 1.00 0.00 C ATOM 255 C ARG A 103 -4.168 -7.739 3.755 1.00 0.00 C ATOM 256 O ARG A 103 -5.078 -8.365 4.300 1.00 0.00 O ATOM 257 CB ARG A 103 -3.305 -5.526 4.540 1.00 0.00 C ATOM 258 CG ARG A 103 -3.297 -4.869 5.911 1.00 0.00 C ATOM 259 CD ARG A 103 -3.394 -3.355 5.803 1.00 0.00 C ATOM 260 NE ARG A 103 -2.321 -2.685 6.532 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.029 -1.397 6.390 1.00 0.00 C ATOM 262 NH1 ARG A 103 -2.728 -0.644 5.552 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.037 -0.859 7.088 1.00 0.00 N ATOM 0 H ARG A 103 -1.234 -6.592 3.727 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.177 -7.380 5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.524 -5.077 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.256 -5.315 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.131 -5.247 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.383 -5.139 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.356 -3.063 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.357 -3.025 6.191 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.765 -3.236 7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.492 -1.053 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.502 0.345 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.498 -1.435 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.814 0.130 6.978 1.00 0.00 H new ATOM 277 N LEU A 104 -4.055 -7.627 2.437 1.00 0.00 N ATOM 278 CA LEU A 104 -5.016 -8.248 1.531 1.00 0.00 C ATOM 279 C LEU A 104 -5.020 -9.764 1.698 1.00 0.00 C ATOM 280 O LEU A 104 -6.041 -10.418 1.485 1.00 0.00 O ATOM 281 CB LEU A 104 -4.690 -7.883 0.083 1.00 0.00 C ATOM 282 CG LEU A 104 -5.828 -7.258 -0.724 1.00 0.00 C ATOM 283 CD1 LEU A 104 -5.578 -5.773 -0.939 1.00 0.00 C ATOM 284 CD2 LEU A 104 -5.991 -7.971 -2.058 1.00 0.00 C ATOM 0 H LEU A 104 -3.308 -7.112 1.971 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.008 -7.872 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.849 -7.190 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.359 -8.785 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.753 -7.372 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.399 -5.346 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.513 -5.271 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.643 -5.636 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.806 -7.512 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.066 -7.890 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.218 -9.023 -1.883 1.00 0.00 H new ATOM 296 N GLN A 105 -3.874 -10.315 2.082 1.00 0.00 N ATOM 297 CA GLN A 105 -3.747 -11.754 2.279 1.00 0.00 C ATOM 298 C GLN A 105 -4.569 -12.215 3.478 1.00 0.00 C ATOM 299 O GLN A 105 -5.023 -13.358 3.529 1.00 0.00 O ATOM 300 CB GLN A 105 -2.279 -12.136 2.475 1.00 0.00 C ATOM 301 CG GLN A 105 -2.040 -13.637 2.518 1.00 0.00 C ATOM 302 CD GLN A 105 -0.568 -13.992 2.587 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.090 -14.161 1.560 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.043 -14.108 3.801 1.00 0.00 N ATOM 0 H GLN A 105 -3.020 -9.787 2.263 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.129 -12.252 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.689 -11.706 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.918 -11.692 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.552 -14.058 3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.479 -14.097 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.626 -13.959 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.943 -14.346 3.910 1.00 0.00 H new ATOM 313 N SER A 106 -4.757 -11.318 4.440 1.00 0.00 N ATOM 314 CA SER A 106 -5.521 -11.633 5.640 1.00 0.00 C ATOM 315 C SER A 106 -6.913 -12.145 5.280 1.00 0.00 C ATOM 316 O SER A 106 -7.426 -11.866 4.197 1.00 0.00 O ATOM 317 CB SER A 106 -5.636 -10.399 6.537 1.00 0.00 C ATOM 318 OG SER A 106 -5.955 -10.763 7.869 1.00 0.00 O ATOM 0 H SER A 106 -4.390 -10.367 4.411 1.00 0.00 H new ATOM 0 HA SER A 106 -4.992 -12.418 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.696 -9.847 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.404 -9.732 6.146 1.00 0.00 H new ATOM 0 HG SER A 106 -6.021 -9.956 8.422 1.00 0.00 H new ATOM 324 N GLN A 107 -7.516 -12.895 6.197 1.00 0.00 N ATOM 325 CA GLN A 107 -8.848 -13.446 5.976 1.00 0.00 C ATOM 326 C GLN A 107 -9.925 -12.436 6.354 1.00 0.00 C ATOM 327 O GLN A 107 -10.980 -12.374 5.722 1.00 0.00 O ATOM 328 CB GLN A 107 -9.031 -14.732 6.783 1.00 0.00 C ATOM 329 CG GLN A 107 -8.421 -15.958 6.123 1.00 0.00 C ATOM 330 CD GLN A 107 -7.694 -16.851 7.109 1.00 0.00 C ATOM 331 OE1 GLN A 107 -8.079 -16.953 8.273 1.00 0.00 O ATOM 332 NE2 GLN A 107 -6.635 -17.505 6.646 1.00 0.00 N ATOM 0 H GLN A 107 -7.104 -13.135 7.099 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.948 -13.674 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.583 -14.600 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.096 -14.905 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.208 -16.531 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.726 -15.640 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.351 -17.391 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.106 -18.121 7.263 1.00 0.00 H new ATOM 341 N GLN A 108 -9.653 -11.647 7.388 1.00 0.00 N ATOM 342 CA GLN A 108 -10.601 -10.641 7.852 1.00 0.00 C ATOM 343 C GLN A 108 -10.338 -9.296 7.181 1.00 0.00 C ATOM 344 O GLN A 108 -10.162 -8.280 7.854 1.00 0.00 O ATOM 345 CB GLN A 108 -10.516 -10.491 9.372 1.00 0.00 C ATOM 346 CG GLN A 108 -9.133 -10.103 9.869 1.00 0.00 C ATOM 347 CD GLN A 108 -9.165 -8.921 10.818 1.00 0.00 C ATOM 348 OE1 GLN A 108 -9.013 -7.772 10.403 1.00 0.00 O ATOM 349 NE2 GLN A 108 -9.362 -9.198 12.102 1.00 0.00 N ATOM 0 H GLN A 108 -8.784 -11.685 7.921 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.604 -10.972 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -11.234 -9.737 9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.810 -11.431 9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.679 -10.957 10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.499 -9.862 9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.483 -10.165 12.402 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.392 -8.443 12.788 1.00 0.00 H new ATOM 358 N ASP A 109 -10.312 -9.299 5.853 1.00 0.00 N ATOM 359 CA ASP A 109 -10.070 -8.079 5.091 1.00 0.00 C ATOM 360 C ASP A 109 -11.372 -7.535 4.509 1.00 0.00 C ATOM 361 O ASP A 109 -11.449 -7.223 3.321 1.00 0.00 O ATOM 362 CB ASP A 109 -9.066 -8.343 3.968 1.00 0.00 C ATOM 363 CG ASP A 109 -8.225 -7.124 3.645 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.287 -6.829 4.414 1.00 0.00 O ATOM 365 OD2 ASP A 109 -8.505 -6.466 2.621 1.00 0.00 O ATOM 0 H ASP A 109 -10.455 -10.132 5.282 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.656 -7.333 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.412 -9.166 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.601 -8.659 3.073 1.00 0.00 H new ATOM 370 N ASP A 110 -12.391 -7.427 5.354 1.00 0.00 N ATOM 371 CA ASP A 110 -13.690 -6.921 4.923 1.00 0.00 C ATOM 372 C ASP A 110 -13.729 -5.398 4.990 1.00 0.00 C ATOM 373 O ASP A 110 -14.107 -4.734 4.023 1.00 0.00 O ATOM 374 CB ASP A 110 -14.803 -7.510 5.791 1.00 0.00 C ATOM 375 CG ASP A 110 -16.073 -7.773 5.004 1.00 0.00 C ATOM 376 OD1 ASP A 110 -16.699 -6.795 4.545 1.00 0.00 O ATOM 377 OD2 ASP A 110 -16.439 -8.956 4.848 1.00 0.00 O ATOM 0 H ASP A 110 -12.344 -7.683 6.340 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.846 -7.225 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.457 -8.442 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -15.022 -6.825 6.610 1.00 0.00 H new ATOM 382 N ILE A 111 -13.338 -4.850 6.135 1.00 0.00 N ATOM 383 CA ILE A 111 -13.328 -3.405 6.327 1.00 0.00 C ATOM 384 C ILE A 111 -11.925 -2.836 6.147 1.00 0.00 C ATOM 385 O ILE A 111 -11.758 -1.674 5.777 1.00 0.00 O ATOM 386 CB ILE A 111 -13.852 -3.019 7.723 1.00 0.00 C ATOM 387 CG1 ILE A 111 -15.225 -3.648 7.968 1.00 0.00 C ATOM 388 CG2 ILE A 111 -13.924 -1.505 7.861 1.00 0.00 C ATOM 389 CD1 ILE A 111 -16.269 -3.233 6.956 1.00 0.00 C ATOM 0 H ILE A 111 -13.024 -5.385 6.945 1.00 0.00 H new ATOM 0 HA ILE A 111 -13.989 -2.982 5.570 1.00 0.00 H new ATOM 0 HB ILE A 111 -13.160 -3.400 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -15.126 -4.733 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -15.568 -3.374 8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -14.296 -1.247 8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -12.930 -1.080 7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.598 -1.102 7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -17.217 -3.717 7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -16.396 -2.151 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -15.947 -3.532 5.958 1.00 0.00 H new ATOM 401 N ASP A 112 -10.919 -3.663 6.411 1.00 0.00 N ATOM 402 CA ASP A 112 -9.529 -3.243 6.276 1.00 0.00 C ATOM 403 C ASP A 112 -9.187 -2.957 4.817 1.00 0.00 C ATOM 404 O ASP A 112 -8.310 -2.145 4.522 1.00 0.00 O ATOM 405 CB ASP A 112 -8.593 -4.318 6.831 1.00 0.00 C ATOM 406 CG ASP A 112 -7.731 -3.805 7.968 1.00 0.00 C ATOM 407 OD1 ASP A 112 -6.666 -3.217 7.685 1.00 0.00 O ATOM 408 OD2 ASP A 112 -8.121 -3.992 9.140 1.00 0.00 O ATOM 0 H ASP A 112 -11.040 -4.628 6.720 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.395 -2.325 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.184 -5.165 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.952 -4.686 6.030 1.00 0.00 H new ATOM 413 N PHE A 113 -9.885 -3.630 3.908 1.00 0.00 N ATOM 414 CA PHE A 113 -9.654 -3.450 2.479 1.00 0.00 C ATOM 415 C PHE A 113 -9.712 -1.973 2.101 1.00 0.00 C ATOM 416 O PHE A 113 -8.902 -1.490 1.310 1.00 0.00 O ATOM 417 CB PHE A 113 -10.688 -4.237 1.672 1.00 0.00 C ATOM 418 CG PHE A 113 -10.181 -4.694 0.333 1.00 0.00 C ATOM 419 CD1 PHE A 113 -9.946 -3.781 -0.681 1.00 0.00 C ATOM 420 CD2 PHE A 113 -9.941 -6.036 0.092 1.00 0.00 C ATOM 421 CE1 PHE A 113 -9.479 -4.198 -1.914 1.00 0.00 C ATOM 422 CE2 PHE A 113 -9.474 -6.460 -1.139 1.00 0.00 C ATOM 423 CZ PHE A 113 -9.244 -5.539 -2.143 1.00 0.00 C ATOM 0 H PHE A 113 -10.615 -4.305 4.135 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.658 -3.827 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -11.002 -5.107 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -11.572 -3.616 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.130 -2.731 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.120 -6.760 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.298 -3.476 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.289 -7.509 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 113 -8.881 -5.868 -3.106 1.00 0.00 H new ATOM 433 N LYS A 114 -10.677 -1.260 2.671 1.00 0.00 N ATOM 434 CA LYS A 114 -10.843 0.162 2.396 1.00 0.00 C ATOM 435 C LYS A 114 -9.561 0.929 2.705 1.00 0.00 C ATOM 436 O LYS A 114 -9.008 1.606 1.838 1.00 0.00 O ATOM 437 CB LYS A 114 -12.001 0.730 3.220 1.00 0.00 C ATOM 438 CG LYS A 114 -13.357 0.567 2.557 1.00 0.00 C ATOM 439 CD LYS A 114 -13.704 -0.898 2.350 1.00 0.00 C ATOM 440 CE LYS A 114 -15.104 -1.064 1.781 1.00 0.00 C ATOM 441 NZ LYS A 114 -16.043 -1.647 2.779 1.00 0.00 N ATOM 0 H LYS A 114 -11.357 -1.644 3.327 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.068 0.278 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.020 0.237 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.820 1.789 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.123 1.040 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.357 1.081 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.979 -1.353 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.631 -1.428 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.479 -0.095 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.065 -1.706 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.987 -1.744 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.699 -2.583 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.101 -1.022 3.608 1.00 0.00 H new ATOM 455 N ARG A 115 -9.094 0.817 3.944 1.00 0.00 N ATOM 456 CA ARG A 115 -7.877 1.500 4.366 1.00 0.00 C ATOM 457 C ARG A 115 -6.688 1.071 3.511 1.00 0.00 C ATOM 458 O ARG A 115 -5.891 1.901 3.077 1.00 0.00 O ATOM 459 CB ARG A 115 -7.589 1.211 5.841 1.00 0.00 C ATOM 460 CG ARG A 115 -6.732 2.270 6.513 1.00 0.00 C ATOM 461 CD ARG A 115 -6.121 1.754 7.806 1.00 0.00 C ATOM 462 NE ARG A 115 -5.157 2.695 8.370 1.00 0.00 N ATOM 463 CZ ARG A 115 -4.653 2.586 9.594 1.00 0.00 C ATOM 464 NH1 ARG A 115 -5.019 1.581 10.378 1.00 0.00 N ATOM 465 NH2 ARG A 115 -3.780 3.482 10.036 1.00 0.00 N ATOM 0 H ARG A 115 -9.540 0.260 4.673 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.028 2.572 4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.534 1.127 6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.089 0.246 5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.939 2.583 5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.338 3.151 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.913 1.567 8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.629 0.800 7.619 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.854 3.479 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.689 0.889 10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.630 1.500 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.495 4.256 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.394 3.397 10.976 1.00 0.00 H new ATOM 479 N ALA A 116 -6.576 -0.232 3.274 1.00 0.00 N ATOM 480 CA ALA A 116 -5.486 -0.772 2.471 1.00 0.00 C ATOM 481 C ALA A 116 -5.465 -0.143 1.082 1.00 0.00 C ATOM 482 O ALA A 116 -4.407 -0.012 0.467 1.00 0.00 O ATOM 483 CB ALA A 116 -5.607 -2.285 2.366 1.00 0.00 C ATOM 0 H ALA A 116 -7.227 -0.933 3.627 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.546 -0.528 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.786 -2.675 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -5.565 -2.723 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.556 -2.542 1.896 1.00 0.00 H new ATOM 489 N GLU A 117 -6.639 0.243 0.594 1.00 0.00 N ATOM 490 CA GLU A 117 -6.754 0.857 -0.723 1.00 0.00 C ATOM 491 C GLU A 117 -6.242 2.294 -0.700 1.00 0.00 C ATOM 492 O GLU A 117 -5.437 2.692 -1.542 1.00 0.00 O ATOM 493 CB GLU A 117 -8.208 0.829 -1.198 1.00 0.00 C ATOM 494 CG GLU A 117 -8.355 0.628 -2.697 1.00 0.00 C ATOM 495 CD GLU A 117 -9.777 0.846 -3.178 1.00 0.00 C ATOM 496 OE1 GLU A 117 -10.590 -0.096 -3.074 1.00 0.00 O ATOM 497 OE2 GLU A 117 -10.075 1.959 -3.659 1.00 0.00 O ATOM 0 H GLU A 117 -7.524 0.141 1.091 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.141 0.283 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.735 0.029 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -8.692 1.764 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.689 1.315 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.038 -0.382 -2.957 1.00 0.00 H new ATOM 504 N LEU A 118 -6.716 3.069 0.269 1.00 0.00 N ATOM 505 CA LEU A 118 -6.307 4.463 0.402 1.00 0.00 C ATOM 506 C LEU A 118 -4.795 4.574 0.564 1.00 0.00 C ATOM 507 O LEU A 118 -4.154 5.421 -0.058 1.00 0.00 O ATOM 508 CB LEU A 118 -7.009 5.108 1.599 1.00 0.00 C ATOM 509 CG LEU A 118 -8.284 5.891 1.287 1.00 0.00 C ATOM 510 CD1 LEU A 118 -9.117 6.078 2.546 1.00 0.00 C ATOM 511 CD2 LEU A 118 -7.945 7.239 0.666 1.00 0.00 C ATOM 0 H LEU A 118 -7.384 2.756 0.974 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.595 4.989 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.254 4.325 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.305 5.780 2.089 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.871 5.319 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.021 6.638 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.391 5.103 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.537 6.628 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.865 7.782 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.337 7.817 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.390 7.084 -0.259 1.00 0.00 H new ATOM 523 N ALA A 119 -4.230 3.712 1.403 1.00 0.00 N ATOM 524 CA ALA A 119 -2.792 3.711 1.643 1.00 0.00 C ATOM 525 C ALA A 119 -2.027 3.283 0.395 1.00 0.00 C ATOM 526 O ALA A 119 -0.973 3.837 0.081 1.00 0.00 O ATOM 527 CB ALA A 119 -2.453 2.796 2.811 1.00 0.00 C ATOM 0 H ALA A 119 -4.746 3.006 1.928 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.490 4.728 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.376 2.805 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.963 3.147 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.776 1.780 2.583 1.00 0.00 H new ATOM 533 N LEU A 120 -2.564 2.295 -0.312 1.00 0.00 N ATOM 534 CA LEU A 120 -1.931 1.792 -1.526 1.00 0.00 C ATOM 535 C LEU A 120 -1.931 2.855 -2.620 1.00 0.00 C ATOM 536 O LEU A 120 -0.977 2.968 -3.391 1.00 0.00 O ATOM 537 CB LEU A 120 -2.653 0.536 -2.019 1.00 0.00 C ATOM 538 CG LEU A 120 -2.142 -0.061 -3.330 1.00 0.00 C ATOM 539 CD1 LEU A 120 -1.280 -1.284 -3.060 1.00 0.00 C ATOM 540 CD2 LEU A 120 -3.306 -0.417 -4.243 1.00 0.00 C ATOM 0 H LEU A 120 -3.436 1.826 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.897 1.540 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.583 -0.227 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.710 0.772 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.528 0.686 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.925 -1.695 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.426 -0.999 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.870 -2.036 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.924 -0.841 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.947 -1.147 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.883 0.481 -4.464 1.00 0.00 H new ATOM 552 N LYS A 121 -3.006 3.633 -2.681 1.00 0.00 N ATOM 553 CA LYS A 121 -3.130 4.690 -3.677 1.00 0.00 C ATOM 554 C LYS A 121 -2.178 5.842 -3.371 1.00 0.00 C ATOM 555 O LYS A 121 -1.434 6.294 -4.242 1.00 0.00 O ATOM 556 CB LYS A 121 -4.570 5.205 -3.729 1.00 0.00 C ATOM 557 CG LYS A 121 -5.510 4.305 -4.512 1.00 0.00 C ATOM 558 CD LYS A 121 -6.638 5.098 -5.150 1.00 0.00 C ATOM 559 CE LYS A 121 -7.922 4.285 -5.218 1.00 0.00 C ATOM 560 NZ LYS A 121 -7.727 3.002 -5.950 1.00 0.00 N ATOM 0 H LYS A 121 -3.805 3.551 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.865 4.271 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.946 5.311 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.576 6.199 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.951 3.779 -5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.927 3.547 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.813 6.009 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.346 5.404 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -8.274 4.077 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -8.697 4.871 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -8.650 2.549 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -7.272 3.191 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -7.123 2.370 -5.387 1.00 0.00 H new ATOM 574 N ARG A 122 -2.205 6.311 -2.128 1.00 0.00 N ATOM 575 CA ARG A 122 -1.344 7.409 -1.707 1.00 0.00 C ATOM 576 C ARG A 122 0.124 7.080 -1.965 1.00 0.00 C ATOM 577 O ARG A 122 0.909 7.949 -2.343 1.00 0.00 O ATOM 578 CB ARG A 122 -1.556 7.712 -0.223 1.00 0.00 C ATOM 579 CG ARG A 122 -1.087 9.098 0.190 1.00 0.00 C ATOM 580 CD ARG A 122 -2.259 10.041 0.409 1.00 0.00 C ATOM 581 NE ARG A 122 -3.047 9.671 1.581 1.00 0.00 N ATOM 582 CZ ARG A 122 -4.259 10.152 1.835 1.00 0.00 C ATOM 583 NH1 ARG A 122 -4.819 11.018 1.001 1.00 0.00 N ATOM 584 NH2 ARG A 122 -4.913 9.768 2.923 1.00 0.00 N ATOM 0 H ARG A 122 -2.814 5.948 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.609 8.289 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.616 7.612 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -1.026 6.967 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -0.500 9.027 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.430 9.505 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.888 11.059 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.898 10.036 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.645 9.006 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -4.319 11.316 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -5.750 11.386 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.485 9.102 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -5.843 10.139 3.116 1.00 0.00 H new ATOM 598 N ALA A 123 0.487 5.818 -1.757 1.00 0.00 N ATOM 599 CA ALA A 123 1.859 5.373 -1.968 1.00 0.00 C ATOM 600 C ALA A 123 2.232 5.428 -3.446 1.00 0.00 C ATOM 601 O ALA A 123 3.274 5.970 -3.813 1.00 0.00 O ATOM 602 CB ALA A 123 2.046 3.964 -1.426 1.00 0.00 C ATOM 0 H ALA A 123 -0.150 5.086 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 123 2.522 6.049 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.075 3.645 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.829 3.953 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.368 3.283 -1.941 1.00 0.00 H new ATOM 608 N MET A 124 1.375 4.862 -4.289 1.00 0.00 N ATOM 609 CA MET A 124 1.615 4.847 -5.728 1.00 0.00 C ATOM 610 C MET A 124 1.791 6.264 -6.265 1.00 0.00 C ATOM 611 O MET A 124 2.655 6.518 -7.102 1.00 0.00 O ATOM 612 CB MET A 124 0.460 4.154 -6.452 1.00 0.00 C ATOM 613 CG MET A 124 0.573 4.210 -7.967 1.00 0.00 C ATOM 614 SD MET A 124 -0.761 3.323 -8.796 1.00 0.00 S ATOM 615 CE MET A 124 -0.720 4.086 -10.416 1.00 0.00 C ATOM 0 H MET A 124 0.508 4.408 -4.001 1.00 0.00 H new ATOM 0 HA MET A 124 2.535 4.291 -5.912 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.418 3.111 -6.137 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.479 4.617 -6.148 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.567 5.251 -8.290 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.530 3.787 -8.272 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.490 3.642 -11.047 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.903 5.156 -10.319 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.258 3.925 -10.869 1.00 0.00 H new ATOM 625 N ASN A 125 0.964 7.183 -5.776 1.00 0.00 N ATOM 626 CA ASN A 125 1.028 8.575 -6.208 1.00 0.00 C ATOM 627 C ASN A 125 2.428 9.145 -6.001 1.00 0.00 C ATOM 628 O ASN A 125 3.043 9.662 -6.933 1.00 0.00 O ATOM 629 CB ASN A 125 0.004 9.416 -5.442 1.00 0.00 C ATOM 630 CG ASN A 125 -0.589 10.521 -6.294 1.00 0.00 C ATOM 631 OD1 ASN A 125 0.078 11.511 -6.598 1.00 0.00 O ATOM 632 ND2 ASN A 125 -1.849 10.358 -6.681 1.00 0.00 N ATOM 0 H ASN A 125 0.243 6.989 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 125 0.794 8.610 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.796 8.770 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.480 9.853 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.303 11.070 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.363 9.521 -6.405 1.00 0.00 H new ATOM 639 N ARG A 126 2.925 9.047 -4.772 1.00 0.00 N ATOM 640 CA ARG A 126 4.252 9.553 -4.442 1.00 0.00 C ATOM 641 C ARG A 126 5.305 8.971 -5.380 1.00 0.00 C ATOM 642 O ARG A 126 6.229 9.667 -5.802 1.00 0.00 O ATOM 643 CB ARG A 126 4.603 9.217 -2.992 1.00 0.00 C ATOM 644 CG ARG A 126 4.959 10.433 -2.153 1.00 0.00 C ATOM 645 CD ARG A 126 4.653 10.205 -0.682 1.00 0.00 C ATOM 646 NE ARG A 126 4.099 11.398 -0.046 1.00 0.00 N ATOM 647 CZ ARG A 126 2.889 11.877 -0.311 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.110 11.268 -1.195 1.00 0.00 N ATOM 649 NH2 ARG A 126 2.456 12.967 0.308 1.00 0.00 N ATOM 0 H ARG A 126 2.429 8.622 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 126 4.241 10.636 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.758 8.704 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.442 8.521 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.018 10.662 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.402 11.299 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.947 9.380 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.565 9.908 -0.164 1.00 0.00 H new ATOM 0 HE ARG A 126 4.673 11.890 0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.440 10.430 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.181 11.638 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.052 13.438 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 126 1.527 13.334 0.104 1.00 0.00 H new ATOM 663 N LEU A 127 5.160 7.690 -5.702 1.00 0.00 N ATOM 664 CA LEU A 127 6.098 7.012 -6.589 1.00 0.00 C ATOM 665 C LEU A 127 6.039 7.600 -7.995 1.00 0.00 C ATOM 666 O LEU A 127 7.070 7.860 -8.614 1.00 0.00 O ATOM 667 CB LEU A 127 5.795 5.514 -6.637 1.00 0.00 C ATOM 668 CG LEU A 127 7.004 4.589 -6.785 1.00 0.00 C ATOM 669 CD1 LEU A 127 7.395 4.002 -5.438 1.00 0.00 C ATOM 670 CD2 LEU A 127 6.708 3.481 -7.785 1.00 0.00 C ATOM 0 H LEU A 127 4.401 7.100 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 127 7.103 7.160 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.264 5.242 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.116 5.327 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 127 7.842 5.176 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.257 3.347 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.649 4.808 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.560 3.430 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 127 7.579 2.832 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.856 2.897 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.477 3.919 -8.756 1.00 0.00 H new ATOM 682 N SER A 128 4.824 7.809 -8.493 1.00 0.00 N ATOM 683 CA SER A 128 4.629 8.365 -9.827 1.00 0.00 C ATOM 684 C SER A 128 5.168 9.790 -9.905 1.00 0.00 C ATOM 685 O SER A 128 5.899 10.140 -10.831 1.00 0.00 O ATOM 686 CB SER A 128 3.145 8.348 -10.198 1.00 0.00 C ATOM 687 OG SER A 128 2.970 8.146 -11.590 1.00 0.00 O ATOM 0 H SER A 128 3.960 7.602 -7.992 1.00 0.00 H new ATOM 0 HA SER A 128 5.180 7.747 -10.536 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.638 7.557 -9.646 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.682 9.290 -9.903 1.00 0.00 H new ATOM 0 HG SER A 128 2.013 8.137 -11.802 1.00 0.00 H new ATOM 693 N VAL A 129 4.800 10.610 -8.925 1.00 0.00 N ATOM 694 CA VAL A 129 5.246 11.998 -8.881 1.00 0.00 C ATOM 695 C VAL A 129 6.767 12.084 -8.811 1.00 0.00 C ATOM 696 O VAL A 129 7.374 12.994 -9.376 1.00 0.00 O ATOM 697 CB VAL A 129 4.644 12.743 -7.676 1.00 0.00 C ATOM 698 CG1 VAL A 129 5.047 14.210 -7.699 1.00 0.00 C ATOM 699 CG2 VAL A 129 3.130 12.597 -7.661 1.00 0.00 C ATOM 0 H VAL A 129 4.194 10.337 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 129 4.900 12.471 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 129 5.037 12.298 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 129 4.612 14.720 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.133 14.290 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.685 14.672 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.722 13.130 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.715 13.015 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.867 11.542 -7.592 1.00 0.00 H new ATOM 709 N ALA A 130 7.377 11.130 -8.115 1.00 0.00 N ATOM 710 CA ALA A 130 8.827 11.096 -7.974 1.00 0.00 C ATOM 711 C ALA A 130 9.511 11.045 -9.335 1.00 0.00 C ATOM 712 O ALA A 130 10.358 11.882 -9.645 1.00 0.00 O ATOM 713 CB ALA A 130 9.247 9.905 -7.125 1.00 0.00 C ATOM 0 H ALA A 130 6.889 10.371 -7.640 1.00 0.00 H new ATOM 0 HA ALA A 130 9.140 12.013 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.333 9.892 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 130 8.795 9.986 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.914 8.983 -7.602 1.00 0.00 H new ATOM 719 N GLU A 131 9.137 10.058 -10.144 1.00 0.00 N ATOM 720 CA GLU A 131 9.716 9.898 -11.472 1.00 0.00 C ATOM 721 C GLU A 131 9.642 11.204 -12.259 1.00 0.00 C ATOM 722 O GLU A 131 10.666 11.776 -12.632 1.00 0.00 O ATOM 723 CB GLU A 131 8.995 8.787 -12.238 1.00 0.00 C ATOM 724 CG GLU A 131 9.603 7.410 -12.028 1.00 0.00 C ATOM 725 CD GLU A 131 10.548 7.013 -13.146 1.00 0.00 C ATOM 726 OE1 GLU A 131 10.163 7.151 -14.325 1.00 0.00 O ATOM 727 OE2 GLU A 131 11.672 6.564 -12.839 1.00 0.00 O ATOM 0 H GLU A 131 8.436 9.358 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 131 10.764 9.625 -11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 131 7.950 8.764 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.009 9.023 -13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 131 10.141 7.395 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 131 8.804 6.672 -11.953 1.00 0.00 H new ATOM 734 N MET A 132 8.422 11.669 -12.509 1.00 0.00 N ATOM 735 CA MET A 132 8.213 12.907 -13.251 1.00 0.00 C ATOM 736 C MET A 132 8.112 14.098 -12.303 1.00 0.00 C ATOM 737 O MET A 132 7.266 14.974 -12.479 1.00 0.00 O ATOM 738 CB MET A 132 6.946 12.809 -14.102 1.00 0.00 C ATOM 739 CG MET A 132 7.068 11.836 -15.263 1.00 0.00 C ATOM 740 SD MET A 132 5.580 11.778 -16.280 1.00 0.00 S ATOM 741 CE MET A 132 6.281 11.976 -17.917 1.00 0.00 C ATOM 0 H MET A 132 7.564 11.207 -12.209 1.00 0.00 H new ATOM 0 HA MET A 132 9.071 13.058 -13.906 1.00 0.00 H new ATOM 0 HB2 MET A 132 6.115 12.502 -13.467 1.00 0.00 H new ATOM 0 HB3 MET A 132 6.702 13.798 -14.491 1.00 0.00 H new ATOM 0 HG2 MET A 132 7.917 12.122 -15.884 1.00 0.00 H new ATOM 0 HG3 MET A 132 7.278 10.839 -14.876 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.483 11.961 -18.659 1.00 0.00 H new ATOM 0 HE2 MET A 132 6.811 12.927 -17.973 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.977 11.161 -18.116 1.00 0.00 H new ATOM 751 N LYS A 133 8.980 14.124 -11.298 1.00 0.00 N ATOM 752 CA LYS A 133 8.990 15.207 -10.322 1.00 0.00 C ATOM 753 C LYS A 133 9.116 16.561 -11.014 1.00 0.00 C ATOM 754 O LYS A 133 8.391 17.503 -10.693 1.00 0.00 O ATOM 755 CB LYS A 133 10.142 15.020 -9.332 1.00 0.00 C ATOM 756 CG LYS A 133 10.325 16.191 -8.383 1.00 0.00 C ATOM 757 CD LYS A 133 11.441 17.114 -8.843 1.00 0.00 C ATOM 758 CE LYS A 133 12.810 16.543 -8.510 1.00 0.00 C ATOM 759 NZ LYS A 133 13.037 16.468 -7.040 1.00 0.00 N ATOM 0 H LYS A 133 9.687 13.406 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 133 8.045 15.181 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 133 9.966 14.115 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.067 14.866 -9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 133 9.393 16.752 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.549 15.819 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 133 11.364 17.272 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 133 11.327 18.089 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 133 12.903 15.547 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.583 17.162 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.058 16.423 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.636 17.312 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 12.575 15.617 -6.660 1.00 0.00 H new