USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 Set 1.1: A 17 SER OG : rot -49:sc= 0.91 USER MOD Set 1.2: A 48 THR OG1 : rot 79:sc= -1.42! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 40 TYR OH : rot -170:sc= 0.857 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00894 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.264 (180deg=-0.989) USER MOD Single : A 54 SER OG : rot 92:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.04 X(o=-2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.229 7.074 1.685 1.00 0.91 N ATOM 45 CA LEU A 4 11.037 6.437 2.165 1.00 0.65 C ATOM 46 C LEU A 4 9.792 7.123 1.655 1.00 0.63 C ATOM 47 O LEU A 4 9.808 8.318 1.332 1.00 0.84 O ATOM 48 CB LEU A 4 11.034 6.376 3.691 1.00 0.62 C ATOM 49 CG LEU A 4 12.228 5.662 4.331 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.050 5.568 5.828 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.424 4.280 3.729 1.00 0.51 C ATOM 0 HA LEU A 4 11.031 5.418 1.777 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.994 7.395 4.077 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.120 5.877 4.014 1.00 0.62 H new ATOM 0 HG LEU A 4 13.122 6.250 4.125 1.00 0.65 H new ATOM 0 HD11 LEU A 4 12.908 5.058 6.265 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.971 6.570 6.249 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.142 5.008 6.052 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.278 3.795 4.201 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.529 3.681 3.895 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.605 4.372 2.658 1.00 0.51 H new ATOM 63 N LEU A 5 8.724 6.366 1.577 1.00 0.44 N ATOM 64 CA LEU A 5 7.457 6.877 1.113 1.00 0.40 C ATOM 65 C LEU A 5 6.780 7.622 2.217 1.00 0.35 C ATOM 66 O LEU A 5 6.926 7.284 3.396 1.00 0.41 O ATOM 67 CB LEU A 5 6.520 5.752 0.672 1.00 0.41 C ATOM 68 CG LEU A 5 6.966 4.878 -0.482 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.948 3.780 -0.720 1.00 0.72 C ATOM 70 CD2 LEU A 5 7.136 5.706 -1.726 1.00 0.81 C ATOM 0 H LEU A 5 8.709 5.379 1.833 1.00 0.44 H new ATOM 0 HA LEU A 5 7.664 7.528 0.263 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.342 5.107 1.532 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.562 6.198 0.404 1.00 0.41 H new ATOM 0 HG LEU A 5 7.925 4.424 -0.232 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.275 3.155 -1.551 1.00 0.72 H new ATOM 0 HD12 LEU A 5 5.855 3.170 0.178 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.982 4.225 -0.958 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.457 5.066 -2.548 1.00 0.81 H new ATOM 0 HD22 LEU A 5 6.187 6.177 -1.982 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.888 6.476 -1.551 1.00 0.81 H new ATOM 82 N THR A 6 6.047 8.605 1.853 1.00 0.37 N ATOM 83 CA THR A 6 5.273 9.337 2.778 1.00 0.42 C ATOM 84 C THR A 6 3.837 8.847 2.693 1.00 0.35 C ATOM 85 O THR A 6 3.444 8.283 1.653 1.00 0.34 O ATOM 86 CB THR A 6 5.384 10.844 2.475 1.00 0.59 C ATOM 87 OG1 THR A 6 5.234 11.071 1.051 1.00 0.65 O ATOM 88 CG2 THR A 6 6.736 11.369 2.928 1.00 0.72 C ATOM 0 H THR A 6 5.967 8.928 0.889 1.00 0.37 H new ATOM 0 HA THR A 6 5.636 9.184 3.794 1.00 0.42 H new ATOM 0 HB THR A 6 4.595 11.369 3.013 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.304 12.030 0.864 1.00 0.65 H new ATOM 0 HG21 THR A 6 6.804 12.435 2.709 1.00 0.72 H new ATOM 0 HG22 THR A 6 6.847 11.211 4.001 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.528 10.839 2.399 1.00 0.72 H new ATOM 96 N THR A 7 3.081 8.999 3.766 1.00 0.40 N ATOM 97 CA THR A 7 1.688 8.585 3.811 1.00 0.43 C ATOM 98 C THR A 7 0.910 9.201 2.645 1.00 0.41 C ATOM 99 O THR A 7 0.089 8.546 2.029 1.00 0.43 O ATOM 100 CB THR A 7 1.058 9.019 5.134 1.00 0.58 C ATOM 101 OG1 THR A 7 1.958 8.691 6.203 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.266 8.295 5.357 1.00 0.66 C ATOM 0 H THR A 7 3.417 9.415 4.635 1.00 0.40 H new ATOM 0 HA THR A 7 1.646 7.499 3.729 1.00 0.43 H new ATOM 0 HB THR A 7 0.872 10.093 5.107 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.565 8.966 7.058 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.701 8.616 6.304 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.952 8.532 4.544 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.092 7.219 5.383 1.00 0.66 H new ATOM 110 N ASP A 8 1.205 10.462 2.344 1.00 0.44 N ATOM 111 CA ASP A 8 0.575 11.172 1.224 1.00 0.51 C ATOM 112 C ASP A 8 0.845 10.481 -0.086 1.00 0.47 C ATOM 113 O ASP A 8 -0.061 10.293 -0.888 1.00 0.52 O ATOM 114 CB ASP A 8 1.040 12.625 1.127 1.00 0.63 C ATOM 115 CG ASP A 8 0.700 13.418 2.348 1.00 1.46 C ATOM 116 OD1 ASP A 8 -0.482 13.476 2.721 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.631 13.937 3.008 1.00 2.38 O ATOM 0 H ASP A 8 1.882 11.022 2.862 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.496 11.163 1.424 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.119 12.648 0.971 1.00 0.63 H new ATOM 0 HB3 ASP A 8 0.582 13.092 0.255 1.00 0.63 H new ATOM 122 N ASP A 9 2.084 10.066 -0.288 1.00 0.45 N ATOM 123 CA ASP A 9 2.479 9.413 -1.536 1.00 0.49 C ATOM 124 C ASP A 9 1.824 8.045 -1.633 1.00 0.47 C ATOM 125 O ASP A 9 1.391 7.621 -2.707 1.00 0.56 O ATOM 126 CB ASP A 9 4.000 9.297 -1.648 1.00 0.60 C ATOM 127 CG ASP A 9 4.450 8.965 -3.057 1.00 1.11 C ATOM 128 OD1 ASP A 9 4.023 9.639 -4.009 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.224 7.985 -3.230 1.00 2.00 O ATOM 0 H ASP A 9 2.837 10.167 0.392 1.00 0.45 H new ATOM 0 HA ASP A 9 2.138 10.029 -2.368 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.458 10.235 -1.335 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.355 8.525 -0.965 1.00 0.60 H new ATOM 134 N LEU A 10 1.714 7.379 -0.490 1.00 0.42 N ATOM 135 CA LEU A 10 1.025 6.094 -0.394 1.00 0.44 C ATOM 136 C LEU A 10 -0.460 6.287 -0.691 1.00 0.42 C ATOM 137 O LEU A 10 -1.066 5.490 -1.409 1.00 0.50 O ATOM 138 CB LEU A 10 1.180 5.506 1.014 1.00 0.45 C ATOM 139 CG LEU A 10 0.443 4.183 1.281 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.058 3.032 0.501 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.391 3.877 2.768 1.00 0.80 C ATOM 0 H LEU A 10 2.098 7.711 0.395 1.00 0.42 H new ATOM 0 HA LEU A 10 1.466 5.409 -1.118 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.242 5.352 1.206 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.830 6.245 1.735 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.582 4.301 0.929 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.511 2.114 0.715 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.004 3.246 -0.566 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.101 2.910 0.794 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.136 2.936 2.928 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.405 3.796 3.158 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.134 4.679 3.286 1.00 0.80 H new ATOM 153 N ARG A 11 -1.022 7.366 -0.128 1.00 0.40 N ATOM 154 CA ARG A 11 -2.433 7.729 -0.268 1.00 0.41 C ATOM 155 C ARG A 11 -2.794 7.766 -1.735 1.00 0.40 C ATOM 156 O ARG A 11 -3.770 7.173 -2.151 1.00 0.42 O ATOM 157 CB ARG A 11 -2.704 9.121 0.342 1.00 0.48 C ATOM 158 CG ARG A 11 -4.127 9.308 0.842 1.00 0.58 C ATOM 159 CD ARG A 11 -4.520 10.769 1.007 1.00 0.72 C ATOM 160 NE ARG A 11 -3.552 11.551 1.801 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.828 12.168 2.960 1.00 1.74 C ATOM 162 NH1 ARG A 11 -4.932 11.877 3.624 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.962 13.029 3.481 1.00 2.57 N ATOM 0 H ARG A 11 -0.495 8.022 0.448 1.00 0.40 H new ATOM 0 HA ARG A 11 -3.034 6.987 0.257 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -2.014 9.285 1.170 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -2.489 9.883 -0.407 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.815 8.830 0.145 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.238 8.799 1.799 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.622 11.224 0.022 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -5.498 10.823 1.485 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.601 11.628 1.441 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -5.580 11.180 3.256 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -5.137 12.349 4.505 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.084 13.223 3.000 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -3.175 13.496 4.362 1.00 2.57 H new ATOM 177 N ARG A 12 -1.946 8.428 -2.502 1.00 0.43 N ATOM 178 CA ARG A 12 -2.131 8.600 -3.944 1.00 0.49 C ATOM 179 C ARG A 12 -2.291 7.255 -4.636 1.00 0.49 C ATOM 180 O ARG A 12 -3.263 7.036 -5.354 1.00 0.59 O ATOM 181 CB ARG A 12 -0.925 9.326 -4.540 1.00 0.64 C ATOM 182 CG ARG A 12 -0.660 10.675 -3.933 1.00 0.85 C ATOM 183 CD ARG A 12 0.677 11.244 -4.367 1.00 1.00 C ATOM 184 NE ARG A 12 0.930 12.517 -3.691 1.00 1.77 N ATOM 185 CZ ARG A 12 2.117 12.969 -3.278 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.228 12.252 -3.475 1.00 2.51 N ATOM 187 NH2 ARG A 12 2.183 14.131 -2.635 1.00 3.48 N ATOM 0 H ARG A 12 -1.099 8.868 -2.144 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.035 9.188 -4.100 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -0.040 8.702 -4.414 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.080 9.446 -5.612 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.456 11.363 -4.218 1.00 0.85 H new ATOM 0 HG3 ARG A 12 -0.683 10.594 -2.846 1.00 0.85 H new ATOM 0 HD2 ARG A 12 1.473 10.537 -4.135 1.00 1.00 H new ATOM 0 HD3 ARG A 12 0.685 11.390 -5.447 1.00 1.00 H new ATOM 0 HE ARG A 12 0.123 13.116 -3.519 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.175 11.349 -3.946 1.00 2.51 H new ATOM 0 HH12 ARG A 12 4.128 12.608 -3.155 1.00 2.51 H new ATOM 0 HH21 ARG A 12 1.333 14.667 -2.462 1.00 3.48 H new ATOM 0 HH22 ARG A 12 3.084 14.486 -2.315 1.00 3.48 H new ATOM 201 N ALA A 13 -1.353 6.358 -4.386 1.00 0.50 N ATOM 202 CA ALA A 13 -1.354 5.047 -5.005 1.00 0.59 C ATOM 203 C ALA A 13 -2.525 4.200 -4.534 1.00 0.55 C ATOM 204 O ALA A 13 -3.176 3.535 -5.343 1.00 0.65 O ATOM 205 CB ALA A 13 -0.047 4.325 -4.740 1.00 0.70 C ATOM 0 H ALA A 13 -0.572 6.519 -3.750 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.463 5.199 -6.079 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.071 3.344 -5.214 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.779 4.906 -5.150 1.00 0.70 H new ATOM 0 HB3 ALA A 13 0.091 4.206 -3.665 1.00 0.70 H new ATOM 211 N LEU A 14 -2.798 4.243 -3.244 1.00 0.47 N ATOM 212 CA LEU A 14 -3.842 3.435 -2.653 1.00 0.48 C ATOM 213 C LEU A 14 -5.212 3.880 -3.163 1.00 0.53 C ATOM 214 O LEU A 14 -5.979 3.072 -3.721 1.00 0.70 O ATOM 215 CB LEU A 14 -3.753 3.524 -1.123 1.00 0.48 C ATOM 216 CG LEU A 14 -4.502 2.459 -0.320 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.970 1.075 -0.639 1.00 0.52 C ATOM 218 CD2 LEU A 14 -4.345 2.727 1.149 1.00 0.92 C ATOM 0 H LEU A 14 -2.303 4.838 -2.580 1.00 0.47 H new ATOM 0 HA LEU A 14 -3.708 2.393 -2.945 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -2.701 3.482 -0.842 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -4.126 4.502 -0.818 1.00 0.48 H new ATOM 0 HG LEU A 14 -5.557 2.501 -0.591 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -4.516 0.332 -0.057 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -4.100 0.871 -1.702 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -2.911 1.025 -0.387 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -4.880 1.966 1.717 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -3.288 2.700 1.413 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -4.753 3.710 1.385 1.00 0.92 H new ATOM 230 N VAL A 15 -5.496 5.175 -3.026 1.00 0.49 N ATOM 231 CA VAL A 15 -6.761 5.759 -3.472 1.00 0.60 C ATOM 232 C VAL A 15 -6.953 5.587 -5.008 1.00 0.66 C ATOM 233 O VAL A 15 -8.086 5.521 -5.516 1.00 0.87 O ATOM 234 CB VAL A 15 -6.922 7.268 -3.022 1.00 0.64 C ATOM 235 CG1 VAL A 15 -8.267 7.828 -3.420 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.746 7.407 -1.513 1.00 0.84 C ATOM 0 H VAL A 15 -4.857 5.848 -2.603 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.559 5.206 -2.977 1.00 0.60 H new ATOM 0 HB VAL A 15 -6.144 7.836 -3.532 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -8.340 8.866 -3.094 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -8.375 7.780 -4.504 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -9.058 7.244 -2.950 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.861 8.453 -1.228 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.499 6.807 -1.002 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.752 7.061 -1.229 1.00 0.84 H new ATOM 246 N GLU A 16 -5.836 5.421 -5.718 1.00 0.64 N ATOM 247 CA GLU A 16 -5.829 5.265 -7.170 1.00 0.77 C ATOM 248 C GLU A 16 -6.468 3.929 -7.551 1.00 0.70 C ATOM 249 O GLU A 16 -7.216 3.835 -8.520 1.00 0.81 O ATOM 250 CB GLU A 16 -4.386 5.301 -7.687 1.00 0.95 C ATOM 251 CG GLU A 16 -4.249 5.623 -9.156 1.00 1.63 C ATOM 252 CD GLU A 16 -4.731 7.015 -9.451 1.00 1.66 C ATOM 253 OE1 GLU A 16 -4.021 7.983 -9.149 1.00 1.92 O ATOM 254 OE2 GLU A 16 -5.817 7.169 -10.048 1.00 2.10 O ATOM 0 H GLU A 16 -4.907 5.391 -5.298 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.398 6.080 -7.617 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.827 6.041 -7.113 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.922 4.333 -7.496 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -3.206 5.524 -9.458 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.820 4.905 -9.744 1.00 1.63 H new ATOM 261 N SER A 17 -6.183 2.909 -6.762 1.00 0.58 N ATOM 262 CA SER A 17 -6.713 1.579 -6.999 1.00 0.61 C ATOM 263 C SER A 17 -8.149 1.454 -6.508 1.00 0.69 C ATOM 264 O SER A 17 -8.857 0.506 -6.846 1.00 0.82 O ATOM 265 CB SER A 17 -5.801 0.549 -6.355 1.00 0.57 C ATOM 266 OG SER A 17 -4.505 0.651 -6.923 1.00 1.00 O ATOM 0 H SER A 17 -5.580 2.979 -5.942 1.00 0.58 H new ATOM 0 HA SER A 17 -6.740 1.394 -8.073 1.00 0.61 H new ATOM 0 HB2 SER A 17 -5.753 0.712 -5.278 1.00 0.57 H new ATOM 0 HB3 SER A 17 -6.200 -0.454 -6.508 1.00 0.57 H new ATOM 0 HG SER A 17 -4.576 0.654 -7.900 1.00 1.00 H new ATOM 400 N ASP A 29 -7.996 9.622 5.401 1.00 0.68 N ATOM 401 CA ASP A 29 -7.081 8.835 6.185 1.00 0.75 C ATOM 402 C ASP A 29 -7.579 7.420 6.306 1.00 0.61 C ATOM 403 O ASP A 29 -8.786 7.166 6.328 1.00 0.71 O ATOM 404 CB ASP A 29 -6.807 9.445 7.552 1.00 1.18 C ATOM 405 CG ASP A 29 -5.796 8.645 8.333 1.00 1.63 C ATOM 406 OD1 ASP A 29 -4.694 8.362 7.795 1.00 2.14 O ATOM 407 OD2 ASP A 29 -6.090 8.245 9.451 1.00 2.17 O ATOM 0 HA ASP A 29 -6.127 8.826 5.659 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -6.445 10.465 7.428 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -7.738 9.504 8.116 1.00 1.18 H new ATOM 412 N PHE A 30 -6.651 6.521 6.370 1.00 0.48 N ATOM 413 CA PHE A 30 -6.908 5.094 6.354 1.00 0.41 C ATOM 414 C PHE A 30 -5.734 4.356 7.018 1.00 0.34 C ATOM 415 O PHE A 30 -5.751 3.142 7.156 1.00 0.34 O ATOM 416 CB PHE A 30 -6.988 4.682 4.855 1.00 0.47 C ATOM 417 CG PHE A 30 -5.779 5.167 4.050 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.558 4.570 4.219 1.00 0.44 C ATOM 419 CD2 PHE A 30 -5.888 6.177 3.094 1.00 0.61 C ATOM 420 CE1 PHE A 30 -3.482 4.963 3.472 1.00 0.52 C ATOM 421 CE2 PHE A 30 -4.806 6.570 2.346 1.00 0.71 C ATOM 422 CZ PHE A 30 -3.587 6.123 2.658 1.00 0.60 C ATOM 0 H PHE A 30 -5.660 6.753 6.437 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.825 4.847 6.890 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -7.057 3.597 4.783 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.899 5.089 4.417 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -4.444 3.782 4.949 1.00 0.44 H new ATOM 0 HD2 PHE A 30 -6.842 6.659 2.939 1.00 0.61 H new ATOM 0 HE1 PHE A 30 -2.562 4.398 3.500 1.00 0.52 H new ATOM 0 HE2 PHE A 30 -4.940 7.238 1.508 1.00 0.71 H new ATOM 0 HZ PHE A 30 -2.703 6.630 2.301 1.00 0.60 H new ATOM 432 N LEU A 31 -4.725 5.135 7.419 1.00 0.36 N ATOM 433 CA LEU A 31 -3.411 4.642 7.807 1.00 0.36 C ATOM 434 C LEU A 31 -3.419 3.531 8.882 1.00 0.35 C ATOM 435 O LEU A 31 -2.743 2.509 8.720 1.00 0.37 O ATOM 436 CB LEU A 31 -2.505 5.826 8.158 1.00 0.44 C ATOM 437 CG LEU A 31 -1.029 5.521 8.404 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.395 4.920 7.159 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.296 6.787 8.811 1.00 0.64 C ATOM 0 H LEU A 31 -4.807 6.150 7.482 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.995 4.125 6.942 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.570 6.554 7.349 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.905 6.306 9.051 1.00 0.44 H new ATOM 0 HG LEU A 31 -0.953 4.795 9.213 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.657 4.709 7.352 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.909 3.995 6.899 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.478 5.625 6.332 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.756 6.559 8.984 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.380 7.528 8.016 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.736 7.184 9.726 1.00 0.64 H new ATOM 451 N ASP A 32 -4.176 3.723 9.949 1.00 0.38 N ATOM 452 CA ASP A 32 -4.257 2.726 11.029 1.00 0.45 C ATOM 453 C ASP A 32 -5.502 1.878 10.918 1.00 0.41 C ATOM 454 O ASP A 32 -5.795 1.059 11.801 1.00 0.47 O ATOM 455 CB ASP A 32 -4.198 3.364 12.430 1.00 0.64 C ATOM 456 CG ASP A 32 -2.846 3.917 12.781 1.00 1.55 C ATOM 457 OD1 ASP A 32 -1.885 3.136 12.957 1.00 2.06 O ATOM 458 OD2 ASP A 32 -2.703 5.155 12.900 1.00 2.29 O ATOM 0 H ASP A 32 -4.746 4.555 10.100 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.380 2.090 10.906 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.935 4.165 12.487 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -4.480 2.618 13.172 1.00 0.64 H new ATOM 463 N LEU A 33 -6.235 2.058 9.862 1.00 0.41 N ATOM 464 CA LEU A 33 -7.419 1.276 9.638 1.00 0.45 C ATOM 465 C LEU A 33 -7.021 0.010 8.916 1.00 0.44 C ATOM 466 O LEU A 33 -6.108 0.022 8.120 1.00 0.56 O ATOM 467 CB LEU A 33 -8.497 2.046 8.830 1.00 0.51 C ATOM 468 CG LEU A 33 -9.221 3.230 9.529 1.00 0.85 C ATOM 469 CD1 LEU A 33 -8.288 4.398 9.820 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.408 3.691 8.700 1.00 1.61 C ATOM 0 H LEU A 33 -6.034 2.744 9.135 1.00 0.41 H new ATOM 0 HA LEU A 33 -7.869 1.044 10.603 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.026 2.429 7.925 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.255 1.329 8.516 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.577 2.861 10.491 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -8.846 5.197 10.308 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -7.482 4.066 10.475 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -7.867 4.769 8.886 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.904 4.521 9.204 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.062 4.017 7.719 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -11.111 2.867 8.581 1.00 1.61 H new ATOM 482 N ARG A 34 -7.665 -1.073 9.209 1.00 0.45 N ATOM 483 CA ARG A 34 -7.349 -2.321 8.551 1.00 0.50 C ATOM 484 C ARG A 34 -7.954 -2.231 7.159 1.00 0.45 C ATOM 485 O ARG A 34 -9.020 -1.621 7.001 1.00 0.54 O ATOM 486 CB ARG A 34 -7.990 -3.485 9.344 1.00 0.71 C ATOM 487 CG ARG A 34 -7.284 -4.855 9.270 1.00 1.08 C ATOM 488 CD ARG A 34 -7.313 -5.528 7.900 1.00 1.18 C ATOM 489 NE ARG A 34 -6.561 -6.777 7.932 1.00 1.90 N ATOM 490 CZ ARG A 34 -6.410 -7.681 6.948 1.00 2.49 C ATOM 491 NH1 ARG A 34 -7.033 -7.560 5.777 1.00 2.61 N ATOM 492 NH2 ARG A 34 -5.627 -8.728 7.171 1.00 3.35 N ATOM 0 H ARG A 34 -8.415 -1.130 9.898 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.275 -2.498 8.497 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -8.048 -3.190 10.392 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -9.014 -3.612 8.992 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -6.245 -4.727 9.572 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -7.747 -5.524 9.996 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.344 -5.724 7.606 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -6.889 -4.860 7.150 1.00 1.18 H new ATOM 0 HE ARG A 34 -6.090 -6.992 8.811 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -7.647 -6.763 5.606 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -6.897 -8.264 5.052 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -5.158 -8.832 8.071 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -5.494 -9.430 6.443 1.00 3.35 H new ATOM 506 N PHE A 35 -7.279 -2.796 6.151 1.00 0.40 N ATOM 507 CA PHE A 35 -7.801 -2.829 4.763 1.00 0.40 C ATOM 508 C PHE A 35 -9.258 -3.313 4.722 1.00 0.46 C ATOM 509 O PHE A 35 -10.063 -2.849 3.920 1.00 0.49 O ATOM 510 CB PHE A 35 -6.926 -3.698 3.855 1.00 0.39 C ATOM 511 CG PHE A 35 -5.552 -3.143 3.607 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.357 -2.094 2.727 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.455 -3.661 4.277 1.00 0.35 C ATOM 514 CE1 PHE A 35 -4.098 -1.574 2.514 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.193 -3.143 4.071 1.00 0.41 C ATOM 516 CZ PHE A 35 -3.013 -2.139 3.110 1.00 0.48 C ATOM 0 H PHE A 35 -6.367 -3.240 6.262 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.771 -1.806 4.387 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.830 -4.688 4.301 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.431 -3.827 2.898 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -6.202 -1.677 2.200 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.590 -4.480 4.968 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.972 -0.715 1.872 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.353 -3.507 4.644 1.00 0.41 H new ATOM 0 HZ PHE A 35 -2.018 -1.815 2.844 1.00 0.48 H new ATOM 526 N GLU A 36 -9.557 -4.212 5.632 1.00 0.58 N ATOM 527 CA GLU A 36 -10.851 -4.780 5.870 1.00 0.74 C ATOM 528 C GLU A 36 -11.917 -3.690 6.090 1.00 0.75 C ATOM 529 O GLU A 36 -12.990 -3.733 5.501 1.00 0.84 O ATOM 530 CB GLU A 36 -10.695 -5.654 7.104 1.00 0.92 C ATOM 531 CG GLU A 36 -11.920 -6.318 7.605 1.00 1.14 C ATOM 532 CD GLU A 36 -11.607 -7.235 8.754 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.575 -6.775 9.917 1.00 1.93 O ATOM 534 OE2 GLU A 36 -11.370 -8.442 8.512 1.00 2.26 O ATOM 0 H GLU A 36 -8.850 -4.586 6.265 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.193 -5.357 5.011 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -9.955 -6.424 6.885 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -10.287 -5.040 7.907 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -12.641 -5.565 7.923 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -12.385 -6.885 6.799 1.00 1.14 H new ATOM 541 N ASP A 37 -11.568 -2.673 6.863 1.00 0.70 N ATOM 542 CA ASP A 37 -12.506 -1.611 7.216 1.00 0.77 C ATOM 543 C ASP A 37 -12.556 -0.546 6.152 1.00 0.71 C ATOM 544 O ASP A 37 -13.518 0.209 6.067 1.00 0.80 O ATOM 545 CB ASP A 37 -12.163 -0.967 8.567 1.00 0.85 C ATOM 546 CG ASP A 37 -12.402 -1.872 9.746 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.571 -2.168 10.061 1.00 1.64 O ATOM 548 OD2 ASP A 37 -11.418 -2.328 10.363 1.00 2.27 O ATOM 0 H ASP A 37 -10.636 -2.558 7.262 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.486 -2.081 7.296 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.116 -0.663 8.560 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -12.757 -0.061 8.689 1.00 0.85 H new ATOM 553 N ILE A 38 -11.541 -0.498 5.309 1.00 0.62 N ATOM 554 CA ILE A 38 -11.523 0.494 4.249 1.00 0.65 C ATOM 555 C ILE A 38 -12.022 -0.085 2.942 1.00 0.69 C ATOM 556 O ILE A 38 -11.897 0.524 1.894 1.00 0.75 O ATOM 557 CB ILE A 38 -10.146 1.202 4.047 1.00 0.61 C ATOM 558 CG1 ILE A 38 -9.019 0.189 3.740 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.804 2.049 5.265 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.661 0.825 3.481 1.00 0.56 C ATOM 0 H ILE A 38 -10.733 -1.120 5.335 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.209 1.272 4.583 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.231 1.857 3.180 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.930 -0.503 4.578 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.303 -0.401 2.869 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.842 2.537 5.110 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.575 2.806 5.410 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.750 1.412 6.148 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.928 0.046 3.274 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.730 1.495 2.624 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.351 1.391 4.359 1.00 0.56 H new ATOM 572 N GLY A 39 -12.675 -1.227 3.030 1.00 0.72 N ATOM 573 CA GLY A 39 -13.261 -1.851 1.862 1.00 0.81 C ATOM 574 C GLY A 39 -12.235 -2.347 0.865 1.00 0.67 C ATOM 575 O GLY A 39 -12.493 -2.382 -0.342 1.00 0.72 O ATOM 0 H GLY A 39 -12.813 -1.742 3.900 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -13.882 -2.689 2.180 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.919 -1.136 1.369 1.00 0.81 H new ATOM 579 N TYR A 40 -11.070 -2.681 1.342 1.00 0.57 N ATOM 580 CA TYR A 40 -10.068 -3.244 0.508 1.00 0.54 C ATOM 581 C TYR A 40 -10.103 -4.723 0.640 1.00 0.64 C ATOM 582 O TYR A 40 -9.798 -5.279 1.696 1.00 0.79 O ATOM 583 CB TYR A 40 -8.678 -2.665 0.785 1.00 0.55 C ATOM 584 CG TYR A 40 -8.426 -1.344 0.095 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.288 -0.282 0.284 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.334 -1.157 -0.735 1.00 0.68 C ATOM 587 CE1 TYR A 40 -9.068 0.926 -0.331 1.00 0.87 C ATOM 588 CE2 TYR A 40 -7.108 0.046 -1.354 1.00 0.82 C ATOM 589 CZ TYR A 40 -7.955 1.060 -1.187 1.00 0.89 C ATOM 590 OH TYR A 40 -7.768 2.278 -1.776 1.00 1.12 O ATOM 0 H TYR A 40 -10.796 -2.568 2.318 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.284 -2.977 -0.527 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.556 -2.533 1.860 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -7.923 -3.383 0.464 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -10.148 -0.403 0.925 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.647 -1.974 -0.898 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -9.735 1.758 -0.162 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -6.238 0.172 -1.981 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.065 2.209 -2.455 1.00 1.12 H new ATOM 600 N ASP A 41 -10.479 -5.350 -0.427 1.00 0.68 N ATOM 601 CA ASP A 41 -10.664 -6.775 -0.477 1.00 0.90 C ATOM 602 C ASP A 41 -9.342 -7.458 -0.727 1.00 1.04 C ATOM 603 O ASP A 41 -8.944 -8.332 0.052 1.00 1.93 O ATOM 604 CB ASP A 41 -11.692 -7.142 -1.578 1.00 1.00 C ATOM 605 CG ASP A 41 -11.275 -6.717 -2.984 1.00 1.48 C ATOM 606 OD1 ASP A 41 -10.684 -5.639 -3.141 1.00 2.20 O ATOM 607 OD2 ASP A 41 -11.577 -7.446 -3.964 1.00 2.00 O ATOM 0 H ASP A 41 -10.672 -4.880 -1.312 1.00 0.68 H new ATOM 0 HA ASP A 41 -11.053 -7.119 0.481 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.851 -8.220 -1.568 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -12.648 -6.677 -1.338 1.00 1.00 H new ATOM 612 N SER A 42 -8.633 -6.997 -1.761 1.00 0.72 N ATOM 613 CA SER A 42 -7.356 -7.558 -2.156 1.00 0.68 C ATOM 614 C SER A 42 -6.829 -6.923 -3.440 1.00 0.54 C ATOM 615 O SER A 42 -5.685 -6.483 -3.482 1.00 0.51 O ATOM 616 CB SER A 42 -7.498 -9.052 -2.372 1.00 0.82 C ATOM 617 OG SER A 42 -8.634 -9.321 -3.256 1.00 0.86 O ATOM 0 H SER A 42 -8.938 -6.219 -2.346 1.00 0.72 H new ATOM 0 HA SER A 42 -6.647 -7.352 -1.354 1.00 0.68 H new ATOM 0 HB2 SER A 42 -6.583 -9.454 -2.808 1.00 0.82 H new ATOM 0 HB3 SER A 42 -7.643 -9.555 -1.416 1.00 0.82 H new ATOM 0 HG SER A 42 -8.720 -10.288 -3.393 1.00 0.86 H new ATOM 622 N LEU A 43 -7.668 -6.846 -4.469 1.00 0.52 N ATOM 623 CA LEU A 43 -7.235 -6.361 -5.790 1.00 0.48 C ATOM 624 C LEU A 43 -6.796 -4.906 -5.713 1.00 0.39 C ATOM 625 O LEU A 43 -5.712 -4.562 -6.166 1.00 0.37 O ATOM 626 CB LEU A 43 -8.345 -6.583 -6.843 1.00 0.64 C ATOM 627 CG LEU A 43 -7.957 -6.532 -8.345 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.101 -7.069 -9.175 1.00 1.64 C ATOM 629 CD2 LEU A 43 -7.617 -5.118 -8.820 1.00 1.57 C ATOM 0 H LEU A 43 -8.652 -7.111 -4.421 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.368 -6.940 -6.109 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.797 -7.556 -6.649 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.118 -5.833 -6.674 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.063 -7.143 -8.468 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.832 -7.035 -10.231 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.307 -8.100 -8.886 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -9.989 -6.460 -9.007 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -7.353 -5.143 -9.877 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -8.481 -4.469 -8.677 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -6.775 -4.734 -8.245 1.00 1.57 H new ATOM 641 N ALA A 44 -7.610 -4.072 -5.098 1.00 0.41 N ATOM 642 CA ALA A 44 -7.268 -2.668 -4.921 1.00 0.39 C ATOM 643 C ALA A 44 -5.965 -2.530 -4.130 1.00 0.34 C ATOM 644 O ALA A 44 -5.122 -1.710 -4.452 1.00 0.35 O ATOM 645 CB ALA A 44 -8.403 -1.933 -4.224 1.00 0.49 C ATOM 0 H ALA A 44 -8.515 -4.339 -4.711 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.119 -2.218 -5.903 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.134 -0.884 -4.098 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.308 -2.006 -4.827 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.581 -2.382 -3.247 1.00 0.49 H new ATOM 651 N LEU A 45 -5.791 -3.383 -3.141 1.00 0.37 N ATOM 652 CA LEU A 45 -4.589 -3.378 -2.320 1.00 0.42 C ATOM 653 C LEU A 45 -3.376 -3.758 -3.192 1.00 0.39 C ATOM 654 O LEU A 45 -2.374 -3.036 -3.246 1.00 0.43 O ATOM 655 CB LEU A 45 -4.770 -4.380 -1.142 1.00 0.54 C ATOM 656 CG LEU A 45 -3.744 -4.357 0.027 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.173 -5.313 1.096 1.00 0.75 C ATOM 658 CD2 LEU A 45 -2.346 -4.736 -0.404 1.00 0.94 C ATOM 0 H LEU A 45 -6.472 -4.097 -2.882 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.417 -2.385 -1.905 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.759 -4.213 -0.716 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.769 -5.386 -1.562 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.720 -3.331 0.393 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -3.451 -5.293 1.913 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.154 -5.022 1.472 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.226 -6.320 0.683 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -1.678 -4.701 0.457 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.353 -5.745 -0.817 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -1.997 -4.036 -1.163 1.00 0.94 H new ATOM 670 N MET A 46 -3.493 -4.874 -3.894 1.00 0.36 N ATOM 671 CA MET A 46 -2.394 -5.409 -4.689 1.00 0.41 C ATOM 672 C MET A 46 -2.040 -4.503 -5.861 1.00 0.39 C ATOM 673 O MET A 46 -0.881 -4.432 -6.248 1.00 0.49 O ATOM 674 CB MET A 46 -2.672 -6.864 -5.147 1.00 0.43 C ATOM 675 CG MET A 46 -3.806 -7.042 -6.157 1.00 0.34 C ATOM 676 SD MET A 46 -3.331 -6.701 -7.876 1.00 0.73 S ATOM 677 CE MET A 46 -2.061 -7.945 -8.133 1.00 1.38 C ATOM 0 H MET A 46 -4.346 -5.433 -3.930 1.00 0.36 H new ATOM 0 HA MET A 46 -1.519 -5.438 -4.040 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.758 -7.268 -5.582 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.899 -7.464 -4.266 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.179 -8.064 -6.091 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.630 -6.383 -5.882 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.985 -8.173 -9.196 1.00 1.38 H new ATOM 0 HE2 MET A 46 -1.104 -7.567 -7.774 1.00 1.38 H new ATOM 0 HE3 MET A 46 -2.322 -8.850 -7.585 1.00 1.38 H new ATOM 687 N GLU A 47 -3.027 -3.796 -6.405 1.00 0.31 N ATOM 688 CA GLU A 47 -2.786 -2.887 -7.510 1.00 0.37 C ATOM 689 C GLU A 47 -1.947 -1.708 -7.021 1.00 0.34 C ATOM 690 O GLU A 47 -1.035 -1.237 -7.722 1.00 0.38 O ATOM 691 CB GLU A 47 -4.098 -2.397 -8.110 1.00 0.44 C ATOM 692 CG GLU A 47 -3.910 -1.558 -9.356 1.00 0.62 C ATOM 693 CD GLU A 47 -5.180 -0.924 -9.828 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.975 -1.594 -10.509 1.00 1.45 O ATOM 695 OE2 GLU A 47 -5.407 0.273 -9.519 1.00 1.76 O ATOM 0 H GLU A 47 -3.998 -3.838 -6.096 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.243 -3.418 -8.292 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.723 -3.257 -8.350 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.635 -1.811 -7.364 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.174 -0.780 -9.156 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -3.505 -2.183 -10.151 1.00 0.62 H new ATOM 702 N THR A 48 -2.246 -1.258 -5.808 1.00 0.32 N ATOM 703 CA THR A 48 -1.492 -0.211 -5.152 1.00 0.33 C ATOM 704 C THR A 48 -0.059 -0.684 -4.955 1.00 0.32 C ATOM 705 O THR A 48 0.900 0.014 -5.340 1.00 0.35 O ATOM 706 CB THR A 48 -2.115 0.095 -3.785 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.447 0.584 -3.965 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.279 1.114 -3.014 1.00 0.41 C ATOM 0 H THR A 48 -3.024 -1.615 -5.254 1.00 0.32 H new ATOM 0 HA THR A 48 -1.507 0.690 -5.765 1.00 0.33 H new ATOM 0 HB THR A 48 -2.141 -0.826 -3.202 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.051 -0.168 -4.136 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.745 1.311 -2.049 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.276 0.718 -2.858 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.219 2.041 -3.584 1.00 0.41 H new ATOM 716 N ALA A 49 0.076 -1.879 -4.366 1.00 0.32 N ATOM 717 CA ALA A 49 1.368 -2.484 -4.133 1.00 0.33 C ATOM 718 C ALA A 49 2.137 -2.571 -5.435 1.00 0.30 C ATOM 719 O ALA A 49 3.229 -2.049 -5.531 1.00 0.29 O ATOM 720 CB ALA A 49 1.213 -3.875 -3.529 1.00 0.40 C ATOM 0 H ALA A 49 -0.711 -2.441 -4.043 1.00 0.32 H new ATOM 0 HA ALA A 49 1.919 -1.861 -3.428 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.198 -4.311 -3.362 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.683 -3.802 -2.579 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.647 -4.508 -4.213 1.00 0.40 H new ATOM 726 N ALA A 50 1.497 -3.140 -6.461 1.00 0.31 N ATOM 727 CA ALA A 50 2.114 -3.365 -7.768 1.00 0.35 C ATOM 728 C ALA A 50 2.636 -2.081 -8.379 1.00 0.33 C ATOM 729 O ALA A 50 3.696 -2.085 -9.015 1.00 0.37 O ATOM 730 CB ALA A 50 1.139 -4.041 -8.722 1.00 0.44 C ATOM 0 H ALA A 50 0.530 -3.459 -6.406 1.00 0.31 H new ATOM 0 HA ALA A 50 2.965 -4.026 -7.606 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.623 -4.197 -9.686 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.834 -5.003 -8.309 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.261 -3.408 -8.854 1.00 0.44 H new ATOM 736 N ARG A 51 1.910 -0.983 -8.171 1.00 0.31 N ATOM 737 CA ARG A 51 2.327 0.306 -8.692 1.00 0.36 C ATOM 738 C ARG A 51 3.630 0.709 -8.038 1.00 0.30 C ATOM 739 O ARG A 51 4.619 0.955 -8.708 1.00 0.34 O ATOM 740 CB ARG A 51 1.285 1.397 -8.419 1.00 0.46 C ATOM 741 CG ARG A 51 1.618 2.715 -9.103 1.00 0.91 C ATOM 742 CD ARG A 51 0.670 3.825 -8.715 1.00 1.03 C ATOM 743 NE ARG A 51 0.883 5.020 -9.541 1.00 1.65 N ATOM 744 CZ ARG A 51 1.034 6.271 -9.088 1.00 2.23 C ATOM 745 NH1 ARG A 51 1.151 6.507 -7.785 1.00 2.58 N ATOM 746 NH2 ARG A 51 1.117 7.284 -9.949 1.00 3.05 N ATOM 0 H ARG A 51 1.035 -0.966 -7.647 1.00 0.31 H new ATOM 0 HA ARG A 51 2.444 0.206 -9.771 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.308 1.053 -8.759 1.00 0.46 H new ATOM 0 HB3 ARG A 51 1.209 1.560 -7.344 1.00 0.46 H new ATOM 0 HG2 ARG A 51 2.637 3.006 -8.847 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.588 2.577 -10.184 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.359 3.483 -8.825 1.00 1.03 H new ATOM 0 HD3 ARG A 51 0.812 4.077 -7.664 1.00 1.03 H new ATOM 0 HE ARG A 51 0.919 4.885 -10.551 1.00 1.65 H new ATOM 0 HH11 ARG A 51 1.126 5.732 -7.122 1.00 2.58 H new ATOM 0 HH12 ARG A 51 1.266 7.463 -7.448 1.00 2.58 H new ATOM 0 HH21 ARG A 51 1.065 7.106 -10.952 1.00 3.05 H new ATOM 0 HH22 ARG A 51 1.232 8.237 -9.605 1.00 3.05 H new ATOM 760 N LEU A 52 3.631 0.711 -6.718 1.00 0.25 N ATOM 761 CA LEU A 52 4.790 1.129 -5.947 1.00 0.24 C ATOM 762 C LEU A 52 5.969 0.185 -6.142 1.00 0.22 C ATOM 763 O LEU A 52 7.122 0.635 -6.215 1.00 0.26 O ATOM 764 CB LEU A 52 4.426 1.290 -4.476 1.00 0.28 C ATOM 765 CG LEU A 52 3.389 2.382 -4.182 1.00 0.35 C ATOM 766 CD1 LEU A 52 3.052 2.423 -2.708 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.903 3.735 -4.640 1.00 0.41 C ATOM 0 H LEU A 52 2.833 0.425 -6.151 1.00 0.25 H new ATOM 0 HA LEU A 52 5.108 2.103 -6.320 1.00 0.24 H new ATOM 0 HB2 LEU A 52 4.045 0.339 -4.105 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.334 1.511 -3.914 1.00 0.28 H new ATOM 0 HG LEU A 52 2.480 2.145 -4.735 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.315 3.205 -2.525 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.643 1.460 -2.401 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.954 2.633 -2.134 1.00 0.43 H new ATOM 0 HD21 LEU A 52 3.157 4.500 -4.425 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.827 3.971 -4.112 1.00 0.41 H new ATOM 0 HD23 LEU A 52 4.095 3.707 -5.713 1.00 0.41 H new ATOM 779 N GLU A 53 5.678 -1.106 -6.254 1.00 0.20 N ATOM 780 CA GLU A 53 6.692 -2.113 -6.529 1.00 0.25 C ATOM 781 C GLU A 53 7.403 -1.779 -7.822 1.00 0.29 C ATOM 782 O GLU A 53 8.605 -1.544 -7.837 1.00 0.32 O ATOM 783 CB GLU A 53 6.084 -3.510 -6.663 1.00 0.28 C ATOM 784 CG GLU A 53 5.445 -4.070 -5.416 1.00 0.30 C ATOM 785 CD GLU A 53 4.941 -5.475 -5.637 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.773 -6.386 -5.811 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.710 -5.698 -5.666 1.00 0.55 O ATOM 0 H GLU A 53 4.735 -1.482 -6.157 1.00 0.20 H new ATOM 0 HA GLU A 53 7.388 -2.112 -5.690 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.334 -3.485 -7.453 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.866 -4.196 -6.988 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.169 -4.066 -4.601 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.618 -3.429 -5.110 1.00 0.30 H new ATOM 794 N SER A 54 6.631 -1.694 -8.887 1.00 0.35 N ATOM 795 CA SER A 54 7.156 -1.431 -10.229 1.00 0.46 C ATOM 796 C SER A 54 7.799 -0.031 -10.332 1.00 0.42 C ATOM 797 O SER A 54 8.750 0.180 -11.098 1.00 0.46 O ATOM 798 CB SER A 54 6.023 -1.562 -11.241 1.00 0.61 C ATOM 799 OG SER A 54 5.335 -2.798 -11.061 1.00 1.51 O ATOM 0 H SER A 54 5.618 -1.804 -8.855 1.00 0.35 H new ATOM 0 HA SER A 54 7.937 -2.162 -10.441 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.327 -0.731 -11.126 1.00 0.61 H new ATOM 0 HB3 SER A 54 6.423 -1.505 -12.253 1.00 0.61 H new ATOM 0 HG SER A 54 4.581 -2.667 -10.448 1.00 1.51 H new ATOM 805 N ARG A 55 7.292 0.896 -9.529 1.00 0.40 N ATOM 806 CA ARG A 55 7.734 2.286 -9.520 1.00 0.45 C ATOM 807 C ARG A 55 9.198 2.355 -9.079 1.00 0.43 C ATOM 808 O ARG A 55 10.004 3.048 -9.688 1.00 0.49 O ATOM 809 CB ARG A 55 6.833 3.085 -8.540 1.00 0.54 C ATOM 810 CG ARG A 55 6.726 4.611 -8.735 1.00 0.70 C ATOM 811 CD ARG A 55 8.020 5.376 -8.501 1.00 1.09 C ATOM 812 NE ARG A 55 7.787 6.821 -8.570 1.00 1.64 N ATOM 813 CZ ARG A 55 8.724 7.777 -8.545 1.00 2.34 C ATOM 814 NH1 ARG A 55 10.017 7.473 -8.520 1.00 2.65 N ATOM 815 NH2 ARG A 55 8.352 9.040 -8.559 1.00 3.15 N ATOM 0 H ARG A 55 6.551 0.701 -8.855 1.00 0.40 H new ATOM 0 HA ARG A 55 7.654 2.716 -10.518 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.827 2.670 -8.598 1.00 0.54 H new ATOM 0 HB3 ARG A 55 7.196 2.902 -7.529 1.00 0.54 H new ATOM 0 HG2 ARG A 55 6.381 4.810 -9.750 1.00 0.70 H new ATOM 0 HG3 ARG A 55 5.964 4.997 -8.058 1.00 0.70 H new ATOM 0 HD2 ARG A 55 8.431 5.115 -7.526 1.00 1.09 H new ATOM 0 HD3 ARG A 55 8.760 5.086 -9.247 1.00 1.09 H new ATOM 0 HE ARG A 55 6.817 7.128 -8.644 1.00 1.64 H new ATOM 0 HH11 ARG A 55 10.311 6.496 -8.520 1.00 2.65 H new ATOM 0 HH12 ARG A 55 10.715 8.216 -8.501 1.00 2.65 H new ATOM 0 HH21 ARG A 55 7.361 9.279 -8.589 1.00 3.15 H new ATOM 0 HH22 ARG A 55 9.055 9.779 -8.540 1.00 3.15 H new ATOM 829 N TYR A 56 9.540 1.627 -8.039 1.00 0.40 N ATOM 830 CA TYR A 56 10.898 1.675 -7.505 1.00 0.48 C ATOM 831 C TYR A 56 11.734 0.481 -7.936 1.00 0.49 C ATOM 832 O TYR A 56 12.963 0.531 -7.911 1.00 0.63 O ATOM 833 CB TYR A 56 10.868 1.826 -5.980 1.00 0.57 C ATOM 834 CG TYR A 56 10.198 3.112 -5.554 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.899 4.303 -5.543 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.854 3.140 -5.208 1.00 0.58 C ATOM 837 CE1 TYR A 56 10.290 5.486 -5.199 1.00 0.94 C ATOM 838 CE2 TYR A 56 8.231 4.322 -4.872 1.00 0.69 C ATOM 839 CZ TYR A 56 8.960 5.494 -4.868 1.00 0.87 C ATOM 840 OH TYR A 56 8.348 6.680 -4.553 1.00 1.01 O ATOM 0 H TYR A 56 8.908 0.997 -7.544 1.00 0.40 H new ATOM 0 HA TYR A 56 11.386 2.554 -7.927 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.340 0.979 -5.542 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.887 1.802 -5.593 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.946 4.304 -5.810 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.288 2.220 -5.202 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.857 6.405 -5.190 1.00 0.94 H new ATOM 0 HE2 TYR A 56 7.182 4.331 -4.614 1.00 0.69 H new ATOM 0 HH TYR A 56 7.405 6.516 -4.343 1.00 1.01 H new ATOM 850 N GLY A 57 11.072 -0.569 -8.353 1.00 0.42 N ATOM 851 CA GLY A 57 11.768 -1.754 -8.786 1.00 0.47 C ATOM 852 C GLY A 57 11.950 -2.729 -7.650 1.00 0.48 C ATOM 853 O GLY A 57 12.973 -3.409 -7.559 1.00 0.64 O ATOM 0 H GLY A 57 10.055 -0.627 -8.402 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.211 -2.231 -9.592 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.742 -1.479 -9.191 1.00 0.47 H new ATOM 857 N VAL A 58 10.957 -2.806 -6.791 1.00 0.37 N ATOM 858 CA VAL A 58 10.991 -3.689 -5.633 1.00 0.39 C ATOM 859 C VAL A 58 9.919 -4.764 -5.758 1.00 0.37 C ATOM 860 O VAL A 58 9.134 -4.741 -6.704 1.00 0.39 O ATOM 861 CB VAL A 58 10.851 -2.929 -4.280 1.00 0.47 C ATOM 862 CG1 VAL A 58 12.021 -1.985 -4.073 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.532 -2.159 -4.208 1.00 0.50 C ATOM 0 H VAL A 58 10.099 -2.259 -6.871 1.00 0.37 H new ATOM 0 HA VAL A 58 11.975 -4.157 -5.623 1.00 0.39 H new ATOM 0 HB VAL A 58 10.853 -3.672 -3.482 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.904 -1.464 -3.123 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.950 -2.554 -4.063 1.00 0.61 H new ATOM 0 HG13 VAL A 58 12.050 -1.258 -4.884 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.465 -1.640 -3.252 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.490 -1.432 -5.019 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.699 -2.855 -4.302 1.00 0.50 H new ATOM 873 N SER A 59 9.854 -5.672 -4.807 1.00 0.42 N ATOM 874 CA SER A 59 8.897 -6.753 -4.866 1.00 0.50 C ATOM 875 C SER A 59 8.280 -6.997 -3.486 1.00 0.48 C ATOM 876 O SER A 59 8.997 -7.137 -2.491 1.00 0.61 O ATOM 877 CB SER A 59 9.603 -8.031 -5.330 1.00 0.68 C ATOM 878 OG SER A 59 10.388 -7.803 -6.504 1.00 1.55 O ATOM 0 H SER A 59 10.455 -5.682 -3.983 1.00 0.42 H new ATOM 0 HA SER A 59 8.107 -6.484 -5.567 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.243 -8.404 -4.531 1.00 0.68 H new ATOM 0 HB3 SER A 59 8.862 -8.804 -5.532 1.00 0.68 H new ATOM 0 HG SER A 59 10.826 -8.638 -6.772 1.00 1.55 H new ATOM 884 N ILE A 60 6.979 -7.012 -3.427 1.00 0.42 N ATOM 885 CA ILE A 60 6.260 -7.318 -2.205 1.00 0.43 C ATOM 886 C ILE A 60 5.753 -8.752 -2.272 1.00 0.48 C ATOM 887 O ILE A 60 5.159 -9.151 -3.279 1.00 0.51 O ATOM 888 CB ILE A 60 5.056 -6.359 -1.993 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.546 -4.922 -1.854 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.217 -6.763 -0.770 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.431 -3.920 -1.736 1.00 0.50 C ATOM 0 H ILE A 60 6.376 -6.812 -4.225 1.00 0.42 H new ATOM 0 HA ILE A 60 6.945 -7.191 -1.366 1.00 0.43 H new ATOM 0 HB ILE A 60 4.413 -6.432 -2.870 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.186 -4.848 -0.975 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.161 -4.670 -2.718 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.385 -6.069 -0.654 1.00 0.44 H new ATOM 0 HG22 ILE A 60 3.831 -7.773 -0.911 1.00 0.44 H new ATOM 0 HG23 ILE A 60 4.840 -6.734 0.124 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.850 -2.919 -1.640 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.804 -3.967 -2.626 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.829 -4.147 -0.856 1.00 0.50 H new ATOM 903 N PRO A 61 6.021 -9.564 -1.244 1.00 0.55 N ATOM 904 CA PRO A 61 5.503 -10.920 -1.183 1.00 0.61 C ATOM 905 C PRO A 61 3.978 -10.902 -1.102 1.00 0.52 C ATOM 906 O PRO A 61 3.407 -10.265 -0.207 1.00 0.43 O ATOM 907 CB PRO A 61 6.091 -11.478 0.121 1.00 0.69 C ATOM 908 CG PRO A 61 7.246 -10.591 0.427 1.00 0.75 C ATOM 909 CD PRO A 61 6.857 -9.239 -0.077 1.00 0.63 C ATOM 0 HA PRO A 61 5.767 -11.512 -2.059 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.356 -11.462 0.925 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.409 -12.514 0.000 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.449 -10.567 1.498 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.153 -10.946 -0.062 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.306 -8.670 0.671 1.00 0.63 H new ATOM 0 HD3 PRO A 61 7.727 -8.643 -0.354 1.00 0.63 H new ATOM 917 N ASP A 62 3.332 -11.593 -2.025 1.00 0.58 N ATOM 918 CA ASP A 62 1.857 -11.664 -2.094 1.00 0.57 C ATOM 919 C ASP A 62 1.260 -12.203 -0.812 1.00 0.48 C ATOM 920 O ASP A 62 0.167 -11.812 -0.412 1.00 0.49 O ATOM 921 CB ASP A 62 1.355 -12.480 -3.306 1.00 0.74 C ATOM 922 CG ASP A 62 1.927 -13.886 -3.398 1.00 1.16 C ATOM 923 OD1 ASP A 62 1.458 -14.804 -2.694 1.00 1.91 O ATOM 924 OD2 ASP A 62 2.873 -14.090 -4.209 1.00 1.38 O ATOM 0 H ASP A 62 3.803 -12.127 -2.755 1.00 0.58 H new ATOM 0 HA ASP A 62 1.515 -10.638 -2.228 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.268 -12.546 -3.259 1.00 0.74 H new ATOM 0 HB3 ASP A 62 1.603 -11.940 -4.220 1.00 0.74 H new ATOM 929 N ASP A 63 2.009 -13.052 -0.139 1.00 0.51 N ATOM 930 CA ASP A 63 1.555 -13.634 1.110 1.00 0.55 C ATOM 931 C ASP A 63 1.600 -12.577 2.204 1.00 0.45 C ATOM 932 O ASP A 63 0.719 -12.509 3.055 1.00 0.48 O ATOM 933 CB ASP A 63 2.436 -14.822 1.499 1.00 0.80 C ATOM 934 CG ASP A 63 1.886 -15.604 2.677 1.00 1.25 C ATOM 935 OD1 ASP A 63 2.157 -15.221 3.831 1.00 1.88 O ATOM 936 OD2 ASP A 63 1.156 -16.584 2.477 1.00 1.94 O ATOM 0 H ASP A 63 2.937 -13.356 -0.435 1.00 0.51 H new ATOM 0 HA ASP A 63 0.532 -13.989 0.985 1.00 0.55 H new ATOM 0 HB2 ASP A 63 2.537 -15.488 0.642 1.00 0.80 H new ATOM 0 HB3 ASP A 63 3.436 -14.462 1.743 1.00 0.80 H new ATOM 941 N VAL A 64 2.581 -11.694 2.117 1.00 0.43 N ATOM 942 CA VAL A 64 2.749 -10.642 3.100 1.00 0.43 C ATOM 943 C VAL A 64 1.759 -9.508 2.831 1.00 0.34 C ATOM 944 O VAL A 64 1.318 -8.835 3.750 1.00 0.37 O ATOM 945 CB VAL A 64 4.218 -10.107 3.167 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.368 -8.994 4.199 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.178 -11.237 3.494 1.00 0.70 C ATOM 0 H VAL A 64 3.276 -11.687 1.370 1.00 0.43 H new ATOM 0 HA VAL A 64 2.537 -11.073 4.078 1.00 0.43 H new ATOM 0 HB VAL A 64 4.458 -9.696 2.187 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.402 -8.650 4.215 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.713 -8.163 3.936 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.096 -9.373 5.184 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.196 -10.849 3.537 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.914 -11.671 4.458 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.114 -12.003 2.722 1.00 0.70 H new ATOM 957 N ALA A 65 1.352 -9.342 1.578 1.00 0.32 N ATOM 958 CA ALA A 65 0.332 -8.343 1.234 1.00 0.34 C ATOM 959 C ALA A 65 -1.018 -8.681 1.909 1.00 0.37 C ATOM 960 O ALA A 65 -1.864 -7.814 2.105 1.00 0.46 O ATOM 961 CB ALA A 65 0.187 -8.183 -0.280 1.00 0.42 C ATOM 0 H ALA A 65 1.705 -9.878 0.785 1.00 0.32 H new ATOM 0 HA ALA A 65 0.663 -7.380 1.621 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.577 -7.436 -0.495 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.138 -7.863 -0.705 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -0.104 -9.137 -0.720 1.00 0.42 H new ATOM 967 N GLY A 66 -1.200 -9.948 2.269 1.00 0.39 N ATOM 968 CA GLY A 66 -2.390 -10.353 2.999 1.00 0.50 C ATOM 969 C GLY A 66 -2.088 -10.535 4.474 1.00 0.52 C ATOM 970 O GLY A 66 -2.952 -10.919 5.271 1.00 0.73 O ATOM 0 H GLY A 66 -0.544 -10.703 2.068 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.170 -9.602 2.874 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.775 -11.285 2.585 1.00 0.50 H new ATOM 974 N ARG A 67 -0.857 -10.273 4.825 1.00 0.42 N ATOM 975 CA ARG A 67 -0.385 -10.389 6.184 1.00 0.50 C ATOM 976 C ARG A 67 -0.352 -8.994 6.796 1.00 0.49 C ATOM 977 O ARG A 67 -0.388 -8.829 8.004 1.00 0.60 O ATOM 978 CB ARG A 67 1.004 -11.080 6.170 1.00 0.56 C ATOM 979 CG ARG A 67 1.585 -11.537 7.518 1.00 1.09 C ATOM 980 CD ARG A 67 2.697 -10.629 8.051 1.00 1.24 C ATOM 981 NE ARG A 67 2.206 -9.372 8.607 1.00 2.11 N ATOM 982 CZ ARG A 67 2.975 -8.356 9.024 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.295 -8.371 8.831 1.00 2.21 N ATOM 984 NH2 ARG A 67 2.409 -7.318 9.631 1.00 3.62 N ATOM 0 H ARG A 67 -0.141 -9.968 4.166 1.00 0.42 H new ATOM 0 HA ARG A 67 -1.044 -11.004 6.797 1.00 0.50 H new ATOM 0 HB2 ARG A 67 0.939 -11.952 5.519 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.716 -10.393 5.713 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.781 -11.582 8.253 1.00 1.09 H new ATOM 0 HG3 ARG A 67 1.975 -12.549 7.411 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.255 -11.164 8.820 1.00 1.24 H new ATOM 0 HD3 ARG A 67 3.396 -10.411 7.243 1.00 1.24 H new ATOM 0 HE ARG A 67 1.195 -9.257 8.685 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.733 -9.163 8.360 1.00 2.21 H new ATOM 0 HH12 ARG A 67 4.867 -7.590 9.154 1.00 2.21 H new ATOM 0 HH21 ARG A 67 1.399 -7.300 9.775 1.00 3.62 H new ATOM 0 HH22 ARG A 67 2.984 -6.539 9.952 1.00 3.62 H new ATOM 998 N VAL A 68 -0.284 -7.996 5.943 1.00 0.44 N ATOM 999 CA VAL A 68 -0.329 -6.617 6.373 1.00 0.44 C ATOM 1000 C VAL A 68 -1.788 -6.231 6.619 1.00 0.52 C ATOM 1001 O VAL A 68 -2.651 -6.411 5.755 1.00 0.94 O ATOM 1002 CB VAL A 68 0.351 -5.648 5.334 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.827 -5.969 5.184 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.325 -5.687 3.972 1.00 0.57 C ATOM 0 H VAL A 68 -0.196 -8.117 4.934 1.00 0.44 H new ATOM 0 HA VAL A 68 0.241 -6.517 7.297 1.00 0.44 H new ATOM 0 HB VAL A 68 0.237 -4.639 5.730 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.276 -5.287 4.462 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.324 -5.855 6.148 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.943 -6.995 4.835 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.183 -5.001 3.294 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.275 -6.699 3.570 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.368 -5.389 4.075 1.00 0.57 H new ATOM 1014 N ASP A 69 -2.074 -5.783 7.807 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.434 -5.450 8.170 1.00 0.57 C ATOM 1016 C ASP A 69 -3.722 -4.011 7.893 1.00 0.40 C ATOM 1017 O ASP A 69 -4.781 -3.669 7.354 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.728 -5.762 9.646 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.843 -7.233 9.940 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.945 -7.792 9.838 1.00 2.46 O ATOM 1021 OD2 ASP A 69 -2.799 -7.867 10.248 1.00 1.76 O ATOM 0 H ASP A 69 -1.387 -5.637 8.547 1.00 0.40 H new ATOM 0 HA ASP A 69 -4.086 -6.072 7.556 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -2.936 -5.338 10.263 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -4.656 -5.269 9.935 1.00 0.94 H new ATOM 1026 N THR A 70 -2.819 -3.165 8.265 1.00 0.35 N ATOM 1027 CA THR A 70 -2.992 -1.766 8.049 1.00 0.30 C ATOM 1028 C THR A 70 -2.115 -1.280 6.897 1.00 0.26 C ATOM 1029 O THR A 70 -1.065 -1.880 6.602 1.00 0.26 O ATOM 1030 CB THR A 70 -2.660 -0.982 9.331 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.336 -1.330 9.786 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.674 -1.298 10.418 1.00 0.52 C ATOM 0 H THR A 70 -1.945 -3.421 8.725 1.00 0.35 H new ATOM 0 HA THR A 70 -4.035 -1.591 7.786 1.00 0.30 H new ATOM 0 HB THR A 70 -2.699 0.085 9.111 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.128 -0.828 10.601 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.428 -0.737 11.320 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.671 -1.019 10.078 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.651 -2.365 10.637 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.540 -0.213 6.193 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.743 0.411 5.149 1.00 0.28 C ATOM 1042 C PRO A 71 -0.426 0.917 5.705 1.00 0.27 C ATOM 1043 O PRO A 71 0.552 0.991 4.989 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.618 1.571 4.672 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.990 1.130 5.010 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.852 0.428 6.313 1.00 0.33 C ATOM 0 HA PRO A 71 -1.481 -0.278 4.346 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.360 2.502 5.176 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.505 1.746 3.602 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.670 1.978 5.087 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.393 0.467 4.244 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.889 1.122 7.153 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.647 -0.302 6.467 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.425 1.277 7.000 1.00 0.29 N ATOM 1055 CA ARG A 72 0.798 1.654 7.715 1.00 0.34 C ATOM 1056 C ARG A 72 1.848 0.556 7.569 1.00 0.32 C ATOM 1057 O ARG A 72 3.007 0.814 7.245 1.00 0.35 O ATOM 1058 CB ARG A 72 0.510 1.892 9.202 1.00 0.42 C ATOM 1059 CG ARG A 72 1.746 2.283 9.996 1.00 0.72 C ATOM 1060 CD ARG A 72 1.456 2.500 11.473 1.00 0.75 C ATOM 1061 NE ARG A 72 0.466 3.565 11.718 1.00 0.84 N ATOM 1062 CZ ARG A 72 0.734 4.883 11.762 1.00 1.44 C ATOM 1063 NH1 ARG A 72 1.871 5.354 11.283 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -0.182 5.728 12.212 1.00 1.57 N ATOM 0 H ARG A 72 -1.268 1.314 7.574 1.00 0.29 H new ATOM 0 HA ARG A 72 1.175 2.580 7.279 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.240 2.677 9.299 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.081 0.987 9.632 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.501 1.504 9.890 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.168 3.196 9.576 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.093 1.568 11.907 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.384 2.750 11.986 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.502 3.279 11.866 1.00 0.84 H new ATOM 0 HH11 ARG A 72 2.555 4.717 10.875 1.00 2.34 H new ATOM 0 HH12 ARG A 72 2.065 6.355 11.321 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -1.088 5.379 12.524 1.00 1.57 H new ATOM 0 HH22 ARG A 72 0.019 6.727 12.246 1.00 1.57 H new ATOM 1078 N GLU A 73 1.406 -0.670 7.780 1.00 0.30 N ATOM 1079 CA GLU A 73 2.258 -1.835 7.711 1.00 0.31 C ATOM 1080 C GLU A 73 2.759 -2.030 6.281 1.00 0.30 C ATOM 1081 O GLU A 73 3.939 -2.262 6.050 1.00 0.33 O ATOM 1082 CB GLU A 73 1.466 -3.055 8.147 1.00 0.36 C ATOM 1083 CG GLU A 73 2.283 -4.308 8.289 1.00 0.42 C ATOM 1084 CD GLU A 73 3.278 -4.203 9.395 1.00 1.08 C ATOM 1085 OE1 GLU A 73 2.913 -4.478 10.558 1.00 1.74 O ATOM 1086 OE2 GLU A 73 4.437 -3.867 9.142 1.00 1.68 O ATOM 0 H GLU A 73 0.435 -0.884 8.006 1.00 0.30 H new ATOM 0 HA GLU A 73 3.116 -1.698 8.369 1.00 0.31 H new ATOM 0 HB2 GLU A 73 0.986 -2.839 9.101 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.671 -3.234 7.423 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.621 -5.153 8.476 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.802 -4.511 7.352 1.00 0.42 H new ATOM 1093 N LEU A 74 1.852 -1.872 5.332 1.00 0.28 N ATOM 1094 CA LEU A 74 2.163 -2.043 3.919 1.00 0.31 C ATOM 1095 C LEU A 74 3.159 -0.944 3.485 1.00 0.31 C ATOM 1096 O LEU A 74 4.106 -1.205 2.737 1.00 0.34 O ATOM 1097 CB LEU A 74 0.825 -2.031 3.107 1.00 0.32 C ATOM 1098 CG LEU A 74 0.833 -2.412 1.598 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.391 -1.299 0.726 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.615 -3.703 1.373 1.00 0.50 C ATOM 0 H LEU A 74 0.880 -1.622 5.517 1.00 0.28 H new ATOM 0 HA LEU A 74 2.648 -3.000 3.724 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.134 -2.707 3.610 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.405 -1.028 3.187 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.205 -2.568 1.303 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.376 -1.612 -0.318 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.781 -0.403 0.845 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.417 -1.082 1.025 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.609 -3.952 0.312 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.643 -3.568 1.708 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.152 -4.512 1.938 1.00 0.50 H new ATOM 1112 N LEU A 75 2.948 0.261 3.994 1.00 0.32 N ATOM 1113 CA LEU A 75 3.840 1.391 3.780 1.00 0.34 C ATOM 1114 C LEU A 75 5.244 1.044 4.264 1.00 0.33 C ATOM 1115 O LEU A 75 6.211 1.114 3.501 1.00 0.31 O ATOM 1116 CB LEU A 75 3.320 2.629 4.534 1.00 0.38 C ATOM 1117 CG LEU A 75 4.156 3.909 4.423 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.224 4.387 2.988 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.584 4.996 5.319 1.00 0.52 C ATOM 0 H LEU A 75 2.141 0.484 4.576 1.00 0.32 H new ATOM 0 HA LEU A 75 3.873 1.615 2.714 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.315 2.848 4.174 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.232 2.371 5.589 1.00 0.38 H new ATOM 0 HG LEU A 75 5.170 3.683 4.754 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.823 5.296 2.935 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.681 3.615 2.369 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.217 4.594 2.625 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.189 5.898 5.228 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.560 5.214 5.017 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.593 4.656 6.355 1.00 0.52 H new ATOM 1131 N ASP A 76 5.335 0.621 5.522 1.00 0.35 N ATOM 1132 CA ASP A 76 6.615 0.285 6.155 1.00 0.37 C ATOM 1133 C ASP A 76 7.274 -0.905 5.473 1.00 0.34 C ATOM 1134 O ASP A 76 8.504 -0.994 5.412 1.00 0.35 O ATOM 1135 CB ASP A 76 6.434 0.001 7.646 1.00 0.45 C ATOM 1136 CG ASP A 76 7.749 -0.254 8.364 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.430 0.719 8.763 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.144 -1.437 8.500 1.00 0.59 O ATOM 0 H ASP A 76 4.528 0.500 6.133 1.00 0.35 H new ATOM 0 HA ASP A 76 7.268 1.150 6.043 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.929 0.847 8.113 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.785 -0.866 7.769 1.00 0.45 H new ATOM 1143 N LEU A 77 6.462 -1.796 4.932 1.00 0.34 N ATOM 1144 CA LEU A 77 6.955 -2.949 4.191 1.00 0.35 C ATOM 1145 C LEU A 77 7.707 -2.438 2.961 1.00 0.34 C ATOM 1146 O LEU A 77 8.840 -2.851 2.694 1.00 0.43 O ATOM 1147 CB LEU A 77 5.766 -3.884 3.797 1.00 0.38 C ATOM 1148 CG LEU A 77 6.075 -5.305 3.227 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.708 -5.277 1.840 1.00 1.15 C ATOM 1150 CD2 LEU A 77 6.948 -6.095 4.194 1.00 1.54 C ATOM 0 H LEU A 77 5.445 -1.743 4.992 1.00 0.34 H new ATOM 0 HA LEU A 77 7.635 -3.540 4.804 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.142 -4.013 4.682 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.164 -3.357 3.057 1.00 0.38 H new ATOM 0 HG LEU A 77 5.112 -5.804 3.117 1.00 0.43 H new ATOM 0 HD11 LEU A 77 6.896 -6.297 1.505 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.032 -4.784 1.141 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.650 -4.729 1.881 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.151 -7.082 3.778 1.00 1.54 H new ATOM 0 HD22 LEU A 77 7.888 -5.566 4.350 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.430 -6.203 5.147 1.00 1.54 H new ATOM 1162 N ILE A 78 7.110 -1.484 2.258 1.00 0.27 N ATOM 1163 CA ILE A 78 7.745 -0.918 1.088 1.00 0.26 C ATOM 1164 C ILE A 78 8.911 -0.049 1.517 1.00 0.28 C ATOM 1165 O ILE A 78 9.903 0.020 0.844 1.00 0.33 O ATOM 1166 CB ILE A 78 6.767 -0.123 0.174 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.613 -1.034 -0.238 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.497 0.412 -1.073 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.641 -0.425 -1.223 1.00 0.29 C ATOM 0 H ILE A 78 6.195 -1.092 2.480 1.00 0.27 H new ATOM 0 HA ILE A 78 8.103 -1.750 0.482 1.00 0.26 H new ATOM 0 HB ILE A 78 6.378 0.732 0.727 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.026 -1.944 -0.673 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.064 -1.328 0.657 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.794 0.964 -1.697 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.306 1.074 -0.765 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.908 -0.423 -1.641 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.858 -1.147 -1.455 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.194 0.469 -0.788 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.170 -0.157 -2.138 1.00 0.29 H new ATOM 1181 N ASN A 79 8.804 0.554 2.690 1.00 0.28 N ATOM 1182 CA ASN A 79 9.905 1.353 3.242 1.00 0.32 C ATOM 1183 C ASN A 79 11.125 0.468 3.514 1.00 0.34 C ATOM 1184 O ASN A 79 12.271 0.902 3.371 1.00 0.37 O ATOM 1185 CB ASN A 79 9.497 2.139 4.513 1.00 0.37 C ATOM 1186 CG ASN A 79 8.655 3.406 4.251 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.746 4.378 4.988 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.824 3.402 3.236 1.00 0.69 N ATOM 0 H ASN A 79 7.974 0.511 3.281 1.00 0.28 H new ATOM 0 HA ASN A 79 10.167 2.097 2.489 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.933 1.475 5.168 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.401 2.426 5.051 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.241 4.218 3.051 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.761 2.583 2.632 1.00 0.69 H new ATOM 1195 N GLY A 80 10.866 -0.784 3.871 1.00 0.37 N ATOM 1196 CA GLY A 80 11.927 -1.751 4.059 1.00 0.43 C ATOM 1197 C GLY A 80 12.554 -2.111 2.731 1.00 0.42 C ATOM 1198 O GLY A 80 13.764 -2.274 2.623 1.00 0.50 O ATOM 0 H GLY A 80 9.928 -1.149 4.035 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.685 -1.343 4.728 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.530 -2.647 4.536 1.00 0.43 H new ATOM 1202 N ALA A 81 11.725 -2.189 1.708 1.00 0.38 N ATOM 1203 CA ALA A 81 12.178 -2.472 0.354 1.00 0.40 C ATOM 1204 C ALA A 81 12.911 -1.250 -0.224 1.00 0.37 C ATOM 1205 O ALA A 81 13.763 -1.368 -1.101 1.00 0.44 O ATOM 1206 CB ALA A 81 10.996 -2.868 -0.523 1.00 0.42 C ATOM 0 H ALA A 81 10.717 -2.058 1.789 1.00 0.38 H new ATOM 0 HA ALA A 81 12.877 -3.308 0.378 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.347 -3.077 -1.534 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.520 -3.759 -0.112 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.274 -2.052 -0.551 1.00 0.42 H new ATOM 1212 N LEU A 82 12.593 -0.086 0.306 1.00 0.35 N ATOM 1213 CA LEU A 82 13.227 1.153 -0.091 1.00 0.39 C ATOM 1214 C LEU A 82 14.586 1.296 0.556 1.00 0.53 C ATOM 1215 O LEU A 82 15.338 2.188 0.224 1.00 0.67 O ATOM 1216 CB LEU A 82 12.336 2.344 0.234 1.00 0.39 C ATOM 1217 CG LEU A 82 11.035 2.416 -0.561 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.155 3.522 -0.041 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.323 2.619 -2.039 1.00 0.49 C ATOM 0 H LEU A 82 11.882 0.026 1.029 1.00 0.35 H new ATOM 0 HA LEU A 82 13.374 1.129 -1.171 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.093 2.317 1.296 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.901 3.259 0.059 1.00 0.39 H new ATOM 0 HG LEU A 82 10.508 1.470 -0.438 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.233 3.556 -0.621 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.918 3.336 1.007 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.676 4.475 -0.132 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.383 2.668 -2.589 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.874 3.549 -2.178 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.919 1.786 -2.411 1.00 0.49 H new ATOM 1231 N ALA A 83 14.859 0.471 1.554 1.00 0.63 N ATOM 1232 CA ALA A 83 16.198 0.380 2.096 1.00 0.81 C ATOM 1233 C ALA A 83 17.091 -0.295 1.066 1.00 0.84 C ATOM 1234 O ALA A 83 18.241 0.108 0.847 1.00 1.00 O ATOM 1235 CB ALA A 83 16.218 -0.385 3.408 1.00 0.99 C ATOM 0 H ALA A 83 14.174 -0.140 2.000 1.00 0.63 H new ATOM 0 HA ALA A 83 16.567 1.383 2.309 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.239 -0.433 3.785 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.586 0.124 4.136 1.00 0.99 H new ATOM 0 HB3 ALA A 83 15.843 -1.396 3.246 1.00 0.99 H new ATOM 1241 N GLU A 84 16.518 -1.314 0.420 1.00 0.79 N ATOM 1242 CA GLU A 84 17.191 -2.115 -0.595 1.00 0.94 C ATOM 1243 C GLU A 84 17.467 -1.247 -1.818 1.00 0.95 C ATOM 1244 O GLU A 84 18.626 -1.041 -2.217 1.00 1.34 O ATOM 1245 CB GLU A 84 16.284 -3.283 -1.019 1.00 1.11 C ATOM 1246 CG GLU A 84 15.750 -4.141 0.122 1.00 1.64 C ATOM 1247 CD GLU A 84 16.825 -4.861 0.880 1.00 1.84 C ATOM 1248 OE1 GLU A 84 17.232 -5.950 0.458 1.00 2.22 O ATOM 1249 OE2 GLU A 84 17.268 -4.364 1.923 1.00 2.18 O ATOM 0 H GLU A 84 15.557 -1.607 0.594 1.00 0.79 H new ATOM 0 HA GLU A 84 18.125 -2.501 -0.186 1.00 0.94 H new ATOM 0 HB2 GLU A 84 15.438 -2.881 -1.576 1.00 1.11 H new ATOM 0 HB3 GLU A 84 16.840 -3.923 -1.703 1.00 1.11 H new ATOM 0 HG2 GLU A 84 15.191 -3.508 0.812 1.00 1.64 H new ATOM 0 HG3 GLU A 84 15.048 -4.871 -0.280 1.00 1.64 H new