USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 6 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 7 THR OG1 : rot -150:sc= 1.24 USER MOD Single : A 17 SER OG : rot 92:sc= -2.08! USER MOD Single : A 40 TYR OH : rot -159:sc= -0.987! USER MOD Single : A 42 SER OG : rot 21:sc= 0.996 USER MOD Single : A 46 MET CE :methyl -128:sc= -1.16 (180deg=-1.94) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.011 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 79 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -9.274 6.439 -3.801 1.00 0.89 N ATOM 45 CA LEU A 4 -8.466 5.389 -4.363 1.00 0.69 C ATOM 46 C LEU A 4 -7.100 5.902 -4.648 1.00 0.63 C ATOM 47 O LEU A 4 -6.927 6.926 -5.310 1.00 0.87 O ATOM 48 CB LEU A 4 -9.085 4.759 -5.620 1.00 0.83 C ATOM 49 CG LEU A 4 -10.180 3.713 -5.387 1.00 1.14 C ATOM 50 CD1 LEU A 4 -11.374 4.302 -4.662 1.00 1.27 C ATOM 51 CD2 LEU A 4 -10.618 3.094 -6.699 1.00 1.51 C ATOM 0 HA LEU A 4 -8.411 4.593 -3.621 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.501 5.558 -6.234 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.286 4.295 -6.199 1.00 0.83 H new ATOM 0 HG LEU A 4 -9.755 2.935 -4.753 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -12.128 3.529 -4.516 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -11.057 4.688 -3.693 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -11.796 5.113 -5.255 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -11.396 2.354 -6.510 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -11.008 3.871 -7.356 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -9.765 2.610 -7.176 1.00 1.51 H new ATOM 63 N LEU A 5 -6.146 5.219 -4.118 1.00 0.49 N ATOM 64 CA LEU A 5 -4.791 5.599 -4.233 1.00 0.44 C ATOM 65 C LEU A 5 -4.317 5.368 -5.640 1.00 0.39 C ATOM 66 O LEU A 5 -4.708 4.382 -6.273 1.00 0.42 O ATOM 67 CB LEU A 5 -3.886 4.774 -3.279 1.00 0.47 C ATOM 68 CG LEU A 5 -4.228 4.721 -1.771 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.511 6.094 -1.190 1.00 0.80 C ATOM 70 CD2 LEU A 5 -5.341 3.727 -1.456 1.00 0.79 C ATOM 0 H LEU A 5 -6.294 4.364 -3.582 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.723 6.654 -3.967 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -3.870 3.748 -3.648 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -2.872 5.162 -3.372 1.00 0.47 H new ATOM 0 HG LEU A 5 -3.331 4.350 -1.274 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -4.745 5.999 -0.130 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -3.633 6.729 -1.312 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -5.358 6.542 -1.710 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -5.540 3.731 -0.384 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -6.245 4.011 -1.994 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -5.034 2.728 -1.764 1.00 0.79 H new ATOM 82 N THR A 6 -3.551 6.283 -6.137 1.00 0.38 N ATOM 83 CA THR A 6 -2.835 6.060 -7.342 1.00 0.40 C ATOM 84 C THR A 6 -1.431 5.651 -6.903 1.00 0.34 C ATOM 85 O THR A 6 -1.226 5.421 -5.691 1.00 0.30 O ATOM 86 CB THR A 6 -2.802 7.317 -8.257 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.205 8.435 -7.567 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.206 7.695 -8.710 1.00 0.63 C ATOM 0 H THR A 6 -3.407 7.202 -5.718 1.00 0.38 H new ATOM 0 HA THR A 6 -3.316 5.291 -7.946 1.00 0.40 H new ATOM 0 HB THR A 6 -2.200 7.073 -9.132 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.826 8.768 -6.886 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.157 8.577 -9.349 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.644 6.867 -9.268 1.00 0.63 H new ATOM 0 HG23 THR A 6 -4.823 7.912 -7.838 1.00 0.63 H new ATOM 96 N THR A 7 -0.479 5.555 -7.804 1.00 0.37 N ATOM 97 CA THR A 7 0.879 5.239 -7.411 1.00 0.37 C ATOM 98 C THR A 7 1.388 6.271 -6.385 1.00 0.35 C ATOM 99 O THR A 7 1.925 5.905 -5.343 1.00 0.34 O ATOM 100 CB THR A 7 1.814 5.184 -8.626 1.00 0.48 C ATOM 101 OG1 THR A 7 1.276 4.264 -9.589 1.00 0.61 O ATOM 102 CG2 THR A 7 3.190 4.698 -8.203 1.00 0.56 C ATOM 0 H THR A 7 -0.616 5.690 -8.806 1.00 0.37 H new ATOM 0 HA THR A 7 0.876 4.251 -6.950 1.00 0.37 H new ATOM 0 HB THR A 7 1.899 6.181 -9.057 1.00 0.48 H new ATOM 0 HG1 THR A 7 2.008 3.857 -10.097 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.846 4.662 -9.072 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.605 5.381 -7.462 1.00 0.56 H new ATOM 0 HG23 THR A 7 3.107 3.701 -7.770 1.00 0.56 H new ATOM 110 N ASP A 8 1.179 7.549 -6.691 1.00 0.43 N ATOM 111 CA ASP A 8 1.584 8.658 -5.817 1.00 0.50 C ATOM 112 C ASP A 8 0.961 8.562 -4.433 1.00 0.44 C ATOM 113 O ASP A 8 1.655 8.670 -3.424 1.00 0.46 O ATOM 114 CB ASP A 8 1.201 10.004 -6.427 1.00 0.67 C ATOM 115 CG ASP A 8 1.563 11.160 -5.517 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.724 11.621 -5.553 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.694 11.633 -4.750 1.00 1.65 O ATOM 0 H ASP A 8 0.724 7.850 -7.553 1.00 0.43 H new ATOM 0 HA ASP A 8 2.667 8.584 -5.719 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.705 10.125 -7.386 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.130 10.021 -6.626 1.00 0.67 H new ATOM 122 N ASP A 9 -0.337 8.336 -4.395 1.00 0.42 N ATOM 123 CA ASP A 9 -1.074 8.296 -3.121 1.00 0.42 C ATOM 124 C ASP A 9 -0.631 7.120 -2.293 1.00 0.40 C ATOM 125 O ASP A 9 -0.509 7.216 -1.064 1.00 0.45 O ATOM 126 CB ASP A 9 -2.578 8.182 -3.334 1.00 0.46 C ATOM 127 CG ASP A 9 -3.159 9.250 -4.191 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.419 10.363 -3.704 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.392 8.986 -5.370 1.00 1.41 O ATOM 0 H ASP A 9 -0.913 8.176 -5.222 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.857 9.232 -2.607 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.797 7.213 -3.783 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.073 8.202 -2.363 1.00 0.46 H new ATOM 134 N LEU A 10 -0.388 6.009 -2.965 1.00 0.37 N ATOM 135 CA LEU A 10 0.060 4.815 -2.306 1.00 0.36 C ATOM 136 C LEU A 10 1.459 5.064 -1.759 1.00 0.36 C ATOM 137 O LEU A 10 1.744 4.772 -0.608 1.00 0.41 O ATOM 138 CB LEU A 10 0.073 3.637 -3.281 1.00 0.35 C ATOM 139 CG LEU A 10 0.133 2.262 -2.642 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.147 2.006 -1.857 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.352 1.187 -3.697 1.00 0.37 C ATOM 0 H LEU A 10 -0.497 5.918 -3.975 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.620 4.566 -1.491 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.821 3.692 -3.902 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.930 3.747 -3.946 1.00 0.35 H new ATOM 0 HG LEU A 10 0.978 2.225 -1.954 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.102 1.018 -1.399 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.254 2.762 -1.079 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.003 2.055 -2.530 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.392 0.209 -3.217 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.470 1.207 -4.413 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.291 1.374 -4.218 1.00 0.37 H new ATOM 153 N ARG A 11 2.307 5.636 -2.605 1.00 0.36 N ATOM 154 CA ARG A 11 3.668 6.017 -2.254 1.00 0.38 C ATOM 155 C ARG A 11 3.681 6.905 -1.008 1.00 0.39 C ATOM 156 O ARG A 11 4.456 6.662 -0.082 1.00 0.41 O ATOM 157 CB ARG A 11 4.326 6.706 -3.448 1.00 0.42 C ATOM 158 CG ARG A 11 5.740 7.199 -3.229 1.00 0.52 C ATOM 159 CD ARG A 11 6.323 7.720 -4.530 1.00 0.71 C ATOM 160 NE ARG A 11 5.514 8.798 -5.125 1.00 1.21 N ATOM 161 CZ ARG A 11 5.183 8.882 -6.429 1.00 1.60 C ATOM 162 NH1 ARG A 11 5.501 7.893 -7.277 1.00 1.92 N ATOM 163 NH2 ARG A 11 4.494 9.919 -6.872 1.00 2.46 N ATOM 0 H ARG A 11 2.063 5.852 -3.572 1.00 0.36 H new ATOM 0 HA ARG A 11 4.243 5.123 -2.012 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.330 6.011 -4.287 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.707 7.554 -3.740 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.745 7.989 -2.478 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.359 6.389 -2.843 1.00 0.52 H new ATOM 0 HD2 ARG A 11 7.333 8.087 -4.349 1.00 0.71 H new ATOM 0 HD3 ARG A 11 6.405 6.898 -5.241 1.00 0.71 H new ATOM 0 HE ARG A 11 5.180 9.535 -4.504 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.997 7.069 -6.937 1.00 1.92 H new ATOM 0 HH12 ARG A 11 5.247 7.965 -8.262 1.00 1.92 H new ATOM 0 HH21 ARG A 11 4.212 10.657 -6.227 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.244 9.981 -7.859 1.00 2.46 H new ATOM 177 N ARG A 12 2.793 7.910 -0.983 1.00 0.42 N ATOM 178 CA ARG A 12 2.634 8.791 0.181 1.00 0.47 C ATOM 179 C ARG A 12 2.371 7.964 1.438 1.00 0.43 C ATOM 180 O ARG A 12 3.072 8.109 2.441 1.00 0.48 O ATOM 181 CB ARG A 12 1.471 9.796 -0.008 1.00 0.60 C ATOM 182 CG ARG A 12 1.169 10.577 1.272 1.00 1.18 C ATOM 183 CD ARG A 12 -0.112 11.402 1.220 1.00 1.47 C ATOM 184 NE ARG A 12 -0.511 11.761 2.595 1.00 2.25 N ATOM 185 CZ ARG A 12 -1.389 12.701 2.984 1.00 2.83 C ATOM 186 NH1 ARG A 12 -2.025 13.453 2.103 1.00 2.60 N ATOM 187 NH2 ARG A 12 -1.613 12.884 4.282 1.00 3.93 N ATOM 0 H ARG A 12 2.172 8.133 -1.761 1.00 0.42 H new ATOM 0 HA ARG A 12 3.563 9.352 0.286 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.722 10.494 -0.807 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.577 9.259 -0.324 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.101 9.875 2.104 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.006 11.242 1.483 1.00 1.18 H new ATOM 0 HD2 ARG A 12 0.045 12.303 0.627 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -0.906 10.834 0.734 1.00 1.47 H new ATOM 0 HE ARG A 12 -0.065 11.230 3.343 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.854 13.326 1.106 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.687 14.161 2.420 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -1.121 12.314 4.970 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -2.277 13.594 4.590 1.00 3.93 H new ATOM 201 N ALA A 13 1.402 7.060 1.342 1.00 0.40 N ATOM 202 CA ALA A 13 0.993 6.233 2.464 1.00 0.42 C ATOM 203 C ALA A 13 2.132 5.362 2.951 1.00 0.41 C ATOM 204 O ALA A 13 2.323 5.221 4.152 1.00 0.50 O ATOM 205 CB ALA A 13 -0.205 5.381 2.086 1.00 0.45 C ATOM 0 H ALA A 13 0.880 6.882 0.484 1.00 0.40 H new ATOM 0 HA ALA A 13 0.708 6.895 3.281 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.498 4.768 2.938 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -1.035 6.027 1.801 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.057 4.736 1.248 1.00 0.45 H new ATOM 211 N LEU A 14 2.905 4.806 2.032 1.00 0.38 N ATOM 212 CA LEU A 14 4.057 4.002 2.412 1.00 0.46 C ATOM 213 C LEU A 14 5.112 4.832 3.141 1.00 0.54 C ATOM 214 O LEU A 14 5.630 4.402 4.180 1.00 0.69 O ATOM 215 CB LEU A 14 4.672 3.227 1.232 1.00 0.48 C ATOM 216 CG LEU A 14 4.043 1.856 0.898 1.00 0.54 C ATOM 217 CD1 LEU A 14 2.643 1.968 0.334 1.00 1.21 C ATOM 218 CD2 LEU A 14 4.943 1.057 -0.021 1.00 1.44 C ATOM 0 H LEU A 14 2.759 4.895 1.026 1.00 0.38 H new ATOM 0 HA LEU A 14 3.680 3.253 3.108 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.610 3.855 0.343 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.731 3.074 1.441 1.00 0.48 H new ATOM 0 HG LEU A 14 3.948 1.320 1.842 1.00 0.54 H new ATOM 0 HD11 LEU A 14 2.256 0.972 0.120 1.00 1.21 H new ATOM 0 HD12 LEU A 14 1.996 2.460 1.061 1.00 1.21 H new ATOM 0 HD13 LEU A 14 2.667 2.553 -0.585 1.00 1.21 H new ATOM 0 HD21 LEU A 14 4.478 0.096 -0.241 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.096 1.607 -0.949 1.00 1.44 H new ATOM 0 HD23 LEU A 14 5.905 0.892 0.465 1.00 1.44 H new ATOM 230 N VAL A 15 5.397 6.029 2.630 1.00 0.53 N ATOM 231 CA VAL A 15 6.363 6.940 3.264 1.00 0.63 C ATOM 232 C VAL A 15 5.888 7.305 4.678 1.00 0.66 C ATOM 233 O VAL A 15 6.676 7.275 5.643 1.00 0.80 O ATOM 234 CB VAL A 15 6.577 8.239 2.420 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.519 9.211 3.130 1.00 0.76 C ATOM 236 CG2 VAL A 15 7.138 7.895 1.048 1.00 0.71 C ATOM 0 H VAL A 15 4.974 6.396 1.777 1.00 0.53 H new ATOM 0 HA VAL A 15 7.320 6.421 3.321 1.00 0.63 H new ATOM 0 HB VAL A 15 5.606 8.721 2.303 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.648 10.104 2.519 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.095 9.490 4.095 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.487 8.733 3.283 1.00 0.76 H new ATOM 0 HG21 VAL A 15 7.281 8.810 0.473 1.00 0.71 H new ATOM 0 HG22 VAL A 15 8.095 7.386 1.163 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.441 7.242 0.523 1.00 0.71 H new ATOM 246 N GLU A 16 4.604 7.632 4.798 1.00 0.62 N ATOM 247 CA GLU A 16 4.004 7.960 6.083 1.00 0.71 C ATOM 248 C GLU A 16 4.107 6.787 7.047 1.00 0.74 C ATOM 249 O GLU A 16 4.537 6.947 8.191 1.00 0.89 O ATOM 250 CB GLU A 16 2.534 8.337 5.932 1.00 0.79 C ATOM 251 CG GLU A 16 2.272 9.585 5.116 1.00 0.87 C ATOM 252 CD GLU A 16 0.823 9.963 5.144 1.00 1.20 C ATOM 253 OE1 GLU A 16 0.367 10.529 6.151 1.00 1.38 O ATOM 254 OE2 GLU A 16 0.097 9.696 4.180 1.00 2.05 O ATOM 0 H GLU A 16 3.956 7.676 4.012 1.00 0.62 H new ATOM 0 HA GLU A 16 4.555 8.813 6.480 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.006 7.502 5.470 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.106 8.474 6.925 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.872 10.408 5.505 1.00 0.87 H new ATOM 0 HG3 GLU A 16 2.587 9.420 4.085 1.00 0.87 H new ATOM 261 N SER A 17 3.747 5.612 6.559 1.00 0.68 N ATOM 262 CA SER A 17 3.733 4.405 7.358 1.00 0.77 C ATOM 263 C SER A 17 5.123 3.992 7.811 1.00 0.89 C ATOM 264 O SER A 17 5.290 3.532 8.934 1.00 1.15 O ATOM 265 CB SER A 17 3.059 3.285 6.597 1.00 0.73 C ATOM 266 OG SER A 17 1.743 3.665 6.216 1.00 1.39 O ATOM 0 H SER A 17 3.455 5.471 5.592 1.00 0.68 H new ATOM 0 HA SER A 17 3.161 4.618 8.261 1.00 0.77 H new ATOM 0 HB2 SER A 17 3.643 3.036 5.711 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.021 2.388 7.216 1.00 0.73 H new ATOM 0 HG SER A 17 1.765 4.071 5.324 1.00 1.39 H new ATOM 400 N ASP A 29 7.148 5.013 -9.789 1.00 0.70 N ATOM 401 CA ASP A 29 6.078 4.058 -9.998 1.00 0.64 C ATOM 402 C ASP A 29 6.682 2.687 -9.747 1.00 0.55 C ATOM 403 O ASP A 29 7.356 2.120 -10.606 1.00 0.74 O ATOM 404 CB ASP A 29 5.498 4.157 -11.417 1.00 0.80 C ATOM 405 CG ASP A 29 4.171 3.444 -11.566 1.00 1.29 C ATOM 406 OD1 ASP A 29 4.177 2.202 -11.771 1.00 2.07 O ATOM 407 OD2 ASP A 29 3.113 4.089 -11.471 1.00 1.68 O ATOM 0 HA ASP A 29 5.245 4.255 -9.323 1.00 0.64 H new ATOM 0 HB2 ASP A 29 5.371 5.207 -11.679 1.00 0.80 H new ATOM 0 HB3 ASP A 29 6.212 3.736 -12.125 1.00 0.80 H new ATOM 412 N PHE A 30 6.476 2.186 -8.558 1.00 0.39 N ATOM 413 CA PHE A 30 7.170 0.990 -8.082 1.00 0.34 C ATOM 414 C PHE A 30 6.235 -0.210 -7.950 1.00 0.31 C ATOM 415 O PHE A 30 6.516 -1.137 -7.195 1.00 0.31 O ATOM 416 CB PHE A 30 7.844 1.302 -6.717 1.00 0.35 C ATOM 417 CG PHE A 30 6.884 1.611 -5.577 1.00 0.33 C ATOM 418 CD1 PHE A 30 6.178 2.805 -5.531 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.706 0.700 -4.547 1.00 0.34 C ATOM 420 CE1 PHE A 30 5.314 3.081 -4.493 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.843 0.969 -3.505 1.00 0.38 C ATOM 422 CZ PHE A 30 5.145 2.164 -3.478 1.00 0.42 C ATOM 0 H PHE A 30 5.825 2.586 -7.882 1.00 0.39 H new ATOM 0 HA PHE A 30 7.925 0.721 -8.821 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.461 0.450 -6.431 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.515 2.151 -6.847 1.00 0.35 H new ATOM 0 HD1 PHE A 30 6.308 3.530 -6.321 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.250 -0.233 -4.561 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.770 4.014 -4.475 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.712 0.248 -2.711 1.00 0.38 H new ATOM 0 HZ PHE A 30 4.469 2.377 -2.663 1.00 0.42 H new ATOM 432 N LEU A 31 5.160 -0.207 -8.719 1.00 0.31 N ATOM 433 CA LEU A 31 4.126 -1.258 -8.659 1.00 0.31 C ATOM 434 C LEU A 31 4.633 -2.712 -8.734 1.00 0.31 C ATOM 435 O LEU A 31 3.984 -3.607 -8.197 1.00 0.35 O ATOM 436 CB LEU A 31 3.007 -1.021 -9.677 1.00 0.33 C ATOM 437 CG LEU A 31 2.174 0.251 -9.455 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.015 0.299 -10.411 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.674 0.346 -8.019 1.00 0.32 C ATOM 0 H LEU A 31 4.967 0.520 -9.408 1.00 0.31 H new ATOM 0 HA LEU A 31 3.726 -1.156 -7.650 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.448 -0.977 -10.673 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.337 -1.881 -9.662 1.00 0.33 H new ATOM 0 HG LEU A 31 2.823 1.106 -9.644 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.438 1.207 -10.238 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.388 0.296 -11.435 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.378 -0.571 -10.254 1.00 0.39 H new ATOM 0 HD21 LEU A 31 1.089 1.257 -7.897 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.050 -0.519 -7.793 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.525 0.368 -7.338 1.00 0.32 H new ATOM 451 N ASP A 32 5.755 -2.950 -9.370 1.00 0.31 N ATOM 452 CA ASP A 32 6.254 -4.324 -9.526 1.00 0.37 C ATOM 453 C ASP A 32 7.314 -4.678 -8.467 1.00 0.37 C ATOM 454 O ASP A 32 7.730 -5.820 -8.344 1.00 0.45 O ATOM 455 CB ASP A 32 6.801 -4.531 -10.954 1.00 0.48 C ATOM 456 CG ASP A 32 7.234 -5.959 -11.250 1.00 1.29 C ATOM 457 OD1 ASP A 32 6.374 -6.864 -11.309 1.00 2.04 O ATOM 458 OD2 ASP A 32 8.446 -6.218 -11.361 1.00 1.83 O ATOM 0 H ASP A 32 6.344 -2.230 -9.788 1.00 0.31 H new ATOM 0 HA ASP A 32 5.416 -5.003 -9.369 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.034 -4.239 -11.672 1.00 0.48 H new ATOM 0 HB3 ASP A 32 7.651 -3.866 -11.106 1.00 0.48 H new ATOM 463 N LEU A 33 7.699 -3.721 -7.666 1.00 0.35 N ATOM 464 CA LEU A 33 8.743 -3.960 -6.676 1.00 0.37 C ATOM 465 C LEU A 33 8.200 -4.732 -5.482 1.00 0.34 C ATOM 466 O LEU A 33 7.250 -4.315 -4.850 1.00 0.40 O ATOM 467 CB LEU A 33 9.419 -2.649 -6.210 1.00 0.41 C ATOM 468 CG LEU A 33 10.443 -1.983 -7.164 1.00 0.51 C ATOM 469 CD1 LEU A 33 9.826 -1.566 -8.482 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.095 -0.789 -6.489 1.00 1.27 C ATOM 0 H LEU A 33 7.318 -2.775 -7.670 1.00 0.35 H new ATOM 0 HA LEU A 33 9.506 -4.565 -7.165 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.633 -1.923 -6.003 1.00 0.41 H new ATOM 0 HB3 LEU A 33 9.924 -2.850 -5.265 1.00 0.41 H new ATOM 0 HG LEU A 33 11.201 -2.733 -7.389 1.00 0.51 H new ATOM 0 HD11 LEU A 33 10.588 -1.105 -9.111 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.420 -2.442 -8.987 1.00 1.37 H new ATOM 0 HD13 LEU A 33 9.025 -0.849 -8.298 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.812 -0.332 -7.171 1.00 1.27 H new ATOM 0 HD22 LEU A 33 10.330 -0.059 -6.223 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.612 -1.118 -5.587 1.00 1.27 H new ATOM 482 N ARG A 34 8.832 -5.847 -5.173 1.00 0.33 N ATOM 483 CA ARG A 34 8.416 -6.688 -4.071 1.00 0.34 C ATOM 484 C ARG A 34 8.804 -6.009 -2.779 1.00 0.29 C ATOM 485 O ARG A 34 9.969 -5.595 -2.616 1.00 0.34 O ATOM 486 CB ARG A 34 9.064 -8.092 -4.138 1.00 0.47 C ATOM 487 CG ARG A 34 8.574 -9.009 -5.266 1.00 0.61 C ATOM 488 CD ARG A 34 8.975 -8.539 -6.650 1.00 1.10 C ATOM 489 NE ARG A 34 8.569 -9.485 -7.700 1.00 1.91 N ATOM 490 CZ ARG A 34 8.621 -9.235 -9.013 1.00 3.03 C ATOM 491 NH1 ARG A 34 8.903 -8.022 -9.436 1.00 3.63 N ATOM 492 NH2 ARG A 34 8.348 -10.190 -9.889 1.00 3.94 N ATOM 0 H ARG A 34 9.647 -6.194 -5.679 1.00 0.33 H new ATOM 0 HA ARG A 34 7.336 -6.827 -4.128 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.142 -7.968 -4.241 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.891 -8.595 -3.187 1.00 0.47 H new ATOM 0 HG2 ARG A 34 8.968 -10.012 -5.104 1.00 0.61 H new ATOM 0 HG3 ARG A 34 7.488 -9.082 -5.217 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.524 -7.566 -6.846 1.00 1.10 H new ATOM 0 HD3 ARG A 34 10.056 -8.402 -6.686 1.00 1.10 H new ATOM 0 HE ARG A 34 8.223 -10.398 -7.406 1.00 1.91 H new ATOM 0 HH11 ARG A 34 9.081 -7.276 -8.764 1.00 3.63 H new ATOM 0 HH12 ARG A 34 8.944 -7.827 -10.436 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.096 -11.123 -9.564 1.00 3.94 H new ATOM 0 HH22 ARG A 34 8.390 -9.992 -10.889 1.00 3.94 H new ATOM 506 N PHE A 35 7.843 -5.904 -1.877 1.00 0.25 N ATOM 507 CA PHE A 35 7.999 -5.150 -0.634 1.00 0.24 C ATOM 508 C PHE A 35 9.197 -5.588 0.191 1.00 0.27 C ATOM 509 O PHE A 35 10.004 -4.750 0.599 1.00 0.29 O ATOM 510 CB PHE A 35 6.741 -5.187 0.219 1.00 0.26 C ATOM 511 CG PHE A 35 5.518 -4.659 -0.442 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.335 -3.299 -0.626 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.535 -5.518 -0.850 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.182 -2.824 -1.214 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.391 -5.052 -1.437 1.00 0.32 C ATOM 516 CZ PHE A 35 3.210 -3.715 -1.618 1.00 0.35 C ATOM 0 H PHE A 35 6.927 -6.339 -1.982 1.00 0.25 H new ATOM 0 HA PHE A 35 8.180 -4.122 -0.949 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.556 -6.217 0.522 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.920 -4.614 1.129 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.100 -2.606 -0.307 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.664 -6.581 -0.706 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.041 -1.763 -1.357 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.629 -5.747 -1.758 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.303 -3.351 -2.079 1.00 0.35 H new ATOM 526 N GLU A 36 9.318 -6.878 0.428 1.00 0.37 N ATOM 527 CA GLU A 36 10.421 -7.449 1.215 1.00 0.47 C ATOM 528 C GLU A 36 11.808 -7.031 0.704 1.00 0.46 C ATOM 529 O GLU A 36 12.766 -6.937 1.475 1.00 0.51 O ATOM 530 CB GLU A 36 10.311 -8.972 1.287 1.00 0.64 C ATOM 531 CG GLU A 36 9.221 -9.510 2.223 1.00 1.56 C ATOM 532 CD GLU A 36 7.800 -9.079 1.891 1.00 2.12 C ATOM 533 OE1 GLU A 36 7.505 -8.890 0.686 1.00 2.79 O ATOM 534 OE2 GLU A 36 6.972 -8.900 2.831 1.00 2.45 O ATOM 0 H GLU A 36 8.656 -7.574 0.083 1.00 0.37 H new ATOM 0 HA GLU A 36 10.322 -7.038 2.220 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.125 -9.354 0.283 1.00 0.64 H new ATOM 0 HB3 GLU A 36 11.272 -9.374 1.608 1.00 0.64 H new ATOM 0 HG2 GLU A 36 9.263 -10.599 2.213 1.00 1.56 H new ATOM 0 HG3 GLU A 36 9.450 -9.191 3.240 1.00 1.56 H new ATOM 541 N ASP A 37 11.895 -6.734 -0.571 1.00 0.44 N ATOM 542 CA ASP A 37 13.149 -6.323 -1.188 1.00 0.50 C ATOM 543 C ASP A 37 13.386 -4.836 -0.957 1.00 0.48 C ATOM 544 O ASP A 37 14.513 -4.392 -0.756 1.00 0.60 O ATOM 545 CB ASP A 37 13.106 -6.611 -2.694 1.00 0.57 C ATOM 546 CG ASP A 37 14.336 -6.125 -3.442 1.00 0.68 C ATOM 547 OD1 ASP A 37 15.336 -6.868 -3.508 1.00 0.74 O ATOM 548 OD2 ASP A 37 14.304 -5.020 -3.998 1.00 0.88 O ATOM 0 H ASP A 37 11.105 -6.768 -1.215 1.00 0.44 H new ATOM 0 HA ASP A 37 13.965 -6.886 -0.735 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.999 -7.685 -2.847 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.221 -6.138 -3.121 1.00 0.57 H new ATOM 553 N ILE A 38 12.310 -4.086 -0.915 1.00 0.40 N ATOM 554 CA ILE A 38 12.382 -2.636 -0.805 1.00 0.42 C ATOM 555 C ILE A 38 12.227 -2.137 0.637 1.00 0.42 C ATOM 556 O ILE A 38 11.905 -0.969 0.876 1.00 0.50 O ATOM 557 CB ILE A 38 11.371 -1.938 -1.759 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.938 -2.435 -1.486 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.773 -2.187 -3.203 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.879 -1.937 -2.452 1.00 0.60 C ATOM 0 H ILE A 38 11.360 -4.456 -0.956 1.00 0.40 H new ATOM 0 HA ILE A 38 13.387 -2.357 -1.121 1.00 0.42 H new ATOM 0 HB ILE A 38 11.389 -0.864 -1.575 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.940 -3.525 -1.506 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.654 -2.136 -0.477 1.00 0.47 H new ATOM 0 HG21 ILE A 38 11.062 -1.697 -3.868 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.771 -1.784 -3.377 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.775 -3.259 -3.401 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.909 -2.345 -2.170 1.00 0.60 H new ATOM 0 HD12 ILE A 38 8.838 -0.848 -2.418 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.128 -2.259 -3.463 1.00 0.60 H new ATOM 572 N GLY A 39 12.520 -3.013 1.584 1.00 0.42 N ATOM 573 CA GLY A 39 12.527 -2.638 2.994 1.00 0.50 C ATOM 574 C GLY A 39 11.175 -2.711 3.654 1.00 0.47 C ATOM 575 O GLY A 39 10.939 -2.060 4.677 1.00 0.66 O ATOM 0 H GLY A 39 12.756 -3.989 1.405 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.217 -3.290 3.529 1.00 0.50 H new ATOM 0 HA3 GLY A 39 12.911 -1.622 3.087 1.00 0.50 H new ATOM 579 N TYR A 40 10.289 -3.474 3.091 1.00 0.36 N ATOM 580 CA TYR A 40 8.966 -3.619 3.639 1.00 0.36 C ATOM 581 C TYR A 40 8.635 -5.046 3.934 1.00 0.42 C ATOM 582 O TYR A 40 8.339 -5.805 3.045 1.00 0.59 O ATOM 583 CB TYR A 40 7.908 -3.058 2.692 1.00 0.36 C ATOM 584 CG TYR A 40 7.744 -1.579 2.723 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.699 -0.734 2.190 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.618 -1.026 3.297 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.538 0.625 2.232 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.442 0.325 3.348 1.00 0.90 C ATOM 589 CZ TYR A 40 7.413 1.156 2.810 1.00 1.04 C ATOM 590 OH TYR A 40 7.260 2.518 2.852 1.00 1.33 O ATOM 0 H TYR A 40 10.457 -4.014 2.242 1.00 0.36 H new ATOM 0 HA TYR A 40 8.961 -3.054 4.571 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.160 -3.357 1.675 1.00 0.36 H new ATOM 0 HB3 TYR A 40 6.949 -3.518 2.932 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.585 -1.151 1.734 1.00 0.70 H new ATOM 0 HD2 TYR A 40 5.862 -1.675 3.714 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.292 1.275 1.813 1.00 0.95 H new ATOM 0 HE2 TYR A 40 5.556 0.743 3.802 1.00 0.90 H new ATOM 0 HH TYR A 40 6.622 2.754 3.557 1.00 1.33 H new ATOM 600 N ASP A 41 8.695 -5.416 5.164 1.00 0.42 N ATOM 601 CA ASP A 41 8.221 -6.726 5.530 1.00 0.51 C ATOM 602 C ASP A 41 6.752 -6.626 5.680 1.00 0.44 C ATOM 603 O ASP A 41 6.253 -5.562 6.066 1.00 0.38 O ATOM 604 CB ASP A 41 8.820 -7.232 6.838 1.00 0.67 C ATOM 605 CG ASP A 41 10.251 -7.645 6.724 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.532 -8.677 6.097 1.00 1.06 O ATOM 607 OD2 ASP A 41 11.131 -6.930 7.238 1.00 0.99 O ATOM 0 H ASP A 41 9.059 -4.850 5.931 1.00 0.42 H new ATOM 0 HA ASP A 41 8.518 -7.434 4.756 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.736 -6.450 7.592 1.00 0.67 H new ATOM 0 HB3 ASP A 41 8.234 -8.080 7.192 1.00 0.67 H new ATOM 612 N SER A 42 6.046 -7.683 5.360 1.00 0.51 N ATOM 613 CA SER A 42 4.596 -7.724 5.458 1.00 0.48 C ATOM 614 C SER A 42 4.042 -7.241 6.838 1.00 0.41 C ATOM 615 O SER A 42 2.903 -6.817 6.929 1.00 0.37 O ATOM 616 CB SER A 42 4.087 -9.090 5.091 1.00 0.59 C ATOM 617 OG SER A 42 4.546 -9.485 3.794 1.00 1.03 O ATOM 0 H SER A 42 6.460 -8.551 5.020 1.00 0.51 H new ATOM 0 HA SER A 42 4.212 -7.002 4.737 1.00 0.48 H new ATOM 0 HB2 SER A 42 4.419 -9.816 5.833 1.00 0.59 H new ATOM 0 HB3 SER A 42 2.997 -9.091 5.109 1.00 0.59 H new ATOM 0 HG SER A 42 5.337 -8.960 3.553 1.00 1.03 H new ATOM 623 N LEU A 43 4.860 -7.287 7.890 1.00 0.45 N ATOM 624 CA LEU A 43 4.478 -6.709 9.177 1.00 0.46 C ATOM 625 C LEU A 43 4.319 -5.185 9.043 1.00 0.41 C ATOM 626 O LEU A 43 3.232 -4.645 9.276 1.00 0.41 O ATOM 627 CB LEU A 43 5.509 -7.053 10.259 1.00 0.59 C ATOM 628 CG LEU A 43 5.306 -6.387 11.627 1.00 0.75 C ATOM 629 CD1 LEU A 43 3.925 -6.684 12.188 1.00 1.56 C ATOM 630 CD2 LEU A 43 6.378 -6.843 12.591 1.00 1.24 C ATOM 0 H LEU A 43 5.785 -7.716 7.876 1.00 0.45 H new ATOM 0 HA LEU A 43 3.522 -7.136 9.479 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.509 -8.134 10.401 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.497 -6.781 9.889 1.00 0.59 H new ATOM 0 HG LEU A 43 5.384 -5.308 11.493 1.00 0.75 H new ATOM 0 HD11 LEU A 43 3.814 -6.198 13.157 1.00 1.56 H new ATOM 0 HD12 LEU A 43 3.165 -6.307 11.503 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.804 -7.761 12.306 1.00 1.56 H new ATOM 0 HD21 LEU A 43 6.225 -6.365 13.558 1.00 1.24 H new ATOM 0 HD22 LEU A 43 6.325 -7.925 12.709 1.00 1.24 H new ATOM 0 HD23 LEU A 43 7.358 -6.568 12.202 1.00 1.24 H new ATOM 642 N ALA A 44 5.391 -4.505 8.628 1.00 0.39 N ATOM 643 CA ALA A 44 5.349 -3.054 8.378 1.00 0.39 C ATOM 644 C ALA A 44 4.369 -2.751 7.251 1.00 0.34 C ATOM 645 O ALA A 44 3.798 -1.665 7.167 1.00 0.40 O ATOM 646 CB ALA A 44 6.729 -2.523 8.024 1.00 0.43 C ATOM 0 H ALA A 44 6.301 -4.932 8.457 1.00 0.39 H new ATOM 0 HA ALA A 44 5.016 -2.558 9.290 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.671 -1.450 7.844 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.416 -2.716 8.848 1.00 0.43 H new ATOM 0 HB3 ALA A 44 7.091 -3.022 7.125 1.00 0.43 H new ATOM 652 N LEU A 45 4.189 -3.720 6.387 1.00 0.29 N ATOM 653 CA LEU A 45 3.250 -3.633 5.308 1.00 0.28 C ATOM 654 C LEU A 45 1.823 -3.534 5.854 1.00 0.25 C ATOM 655 O LEU A 45 1.053 -2.683 5.422 1.00 0.26 O ATOM 656 CB LEU A 45 3.395 -4.838 4.414 1.00 0.30 C ATOM 657 CG LEU A 45 2.655 -4.798 3.110 1.00 0.33 C ATOM 658 CD1 LEU A 45 3.153 -3.643 2.316 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.915 -6.057 2.355 1.00 0.38 C ATOM 0 H LEU A 45 4.701 -4.602 6.419 1.00 0.29 H new ATOM 0 HA LEU A 45 3.454 -2.735 4.725 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.455 -4.979 4.201 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.062 -5.716 4.968 1.00 0.30 H new ATOM 0 HG LEU A 45 1.585 -4.697 3.292 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.624 -3.601 1.364 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.980 -2.720 2.869 1.00 0.43 H new ATOM 0 HD13 LEU A 45 4.221 -3.761 2.132 1.00 0.43 H new ATOM 0 HD21 LEU A 45 2.378 -6.030 1.407 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.984 -6.153 2.164 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.573 -6.910 2.941 1.00 0.38 H new ATOM 671 N MET A 46 1.472 -4.400 6.816 1.00 0.24 N ATOM 672 CA MET A 46 0.146 -4.337 7.451 1.00 0.23 C ATOM 673 C MET A 46 -0.013 -3.024 8.194 1.00 0.25 C ATOM 674 O MET A 46 -1.077 -2.487 8.253 1.00 0.27 O ATOM 675 CB MET A 46 -0.138 -5.496 8.414 1.00 0.27 C ATOM 676 CG MET A 46 -0.022 -6.884 7.816 1.00 0.34 C ATOM 677 SD MET A 46 -0.415 -8.194 9.002 1.00 0.50 S ATOM 678 CE MET A 46 0.796 -7.870 10.288 1.00 1.49 C ATOM 0 H MET A 46 2.077 -5.142 7.168 1.00 0.24 H new ATOM 0 HA MET A 46 -0.577 -4.416 6.639 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.551 -5.423 9.256 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.145 -5.375 8.814 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.692 -6.963 6.960 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.992 -7.030 7.443 1.00 0.34 H new ATOM 0 HE1 MET A 46 1.343 -8.786 10.512 1.00 1.49 H new ATOM 0 HE2 MET A 46 1.493 -7.105 9.947 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.288 -7.522 11.187 1.00 1.49 H new ATOM 688 N GLU A 47 1.087 -2.518 8.740 1.00 0.29 N ATOM 689 CA GLU A 47 1.134 -1.211 9.427 1.00 0.34 C ATOM 690 C GLU A 47 0.736 -0.094 8.432 1.00 0.32 C ATOM 691 O GLU A 47 0.020 0.853 8.766 1.00 0.36 O ATOM 692 CB GLU A 47 2.579 -1.003 9.926 1.00 0.45 C ATOM 693 CG GLU A 47 2.927 0.364 10.489 1.00 0.58 C ATOM 694 CD GLU A 47 2.186 0.714 11.740 1.00 1.03 C ATOM 695 OE1 GLU A 47 2.475 0.133 12.795 1.00 1.25 O ATOM 696 OE2 GLU A 47 1.329 1.615 11.701 1.00 1.88 O ATOM 0 H GLU A 47 1.986 -3.000 8.724 1.00 0.29 H new ATOM 0 HA GLU A 47 0.440 -1.181 10.267 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.781 -1.747 10.696 1.00 0.45 H new ATOM 0 HB3 GLU A 47 3.256 -1.210 9.097 1.00 0.45 H new ATOM 0 HG2 GLU A 47 3.998 0.400 10.691 1.00 0.58 H new ATOM 0 HG3 GLU A 47 2.719 1.121 9.732 1.00 0.58 H new ATOM 703 N THR A 48 1.179 -0.272 7.221 1.00 0.30 N ATOM 704 CA THR A 48 0.937 0.629 6.125 1.00 0.33 C ATOM 705 C THR A 48 -0.530 0.528 5.755 1.00 0.29 C ATOM 706 O THR A 48 -1.278 1.522 5.750 1.00 0.33 O ATOM 707 CB THR A 48 1.825 0.237 4.914 1.00 0.36 C ATOM 708 OG1 THR A 48 3.215 0.242 5.307 1.00 0.42 O ATOM 709 CG2 THR A 48 1.625 1.209 3.758 1.00 0.45 C ATOM 0 H THR A 48 1.742 -1.081 6.957 1.00 0.30 H new ATOM 0 HA THR A 48 1.183 1.652 6.409 1.00 0.33 H new ATOM 0 HB THR A 48 1.536 -0.762 4.586 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.393 -0.526 5.889 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.258 0.914 2.921 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.581 1.194 3.446 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.894 2.216 4.078 1.00 0.45 H new ATOM 717 N ALA A 49 -0.931 -0.709 5.460 1.00 0.25 N ATOM 718 CA ALA A 49 -2.290 -1.048 5.110 1.00 0.24 C ATOM 719 C ALA A 49 -3.253 -0.583 6.181 1.00 0.22 C ATOM 720 O ALA A 49 -4.330 -0.143 5.874 1.00 0.23 O ATOM 721 CB ALA A 49 -2.417 -2.549 4.895 1.00 0.27 C ATOM 0 H ALA A 49 -0.300 -1.511 5.461 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.544 -0.538 4.181 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.446 -2.793 4.632 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -1.753 -2.858 4.088 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.143 -3.072 5.811 1.00 0.27 H new ATOM 727 N ALA A 50 -2.829 -0.660 7.431 1.00 0.23 N ATOM 728 CA ALA A 50 -3.624 -0.248 8.561 1.00 0.26 C ATOM 729 C ALA A 50 -4.057 1.210 8.454 1.00 0.28 C ATOM 730 O ALA A 50 -5.215 1.570 8.747 1.00 0.30 O ATOM 731 CB ALA A 50 -2.892 -0.482 9.871 1.00 0.33 C ATOM 0 H ALA A 50 -1.908 -1.017 7.687 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.521 -0.866 8.551 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.520 -0.160 10.701 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.666 -1.543 9.977 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -1.964 0.089 9.876 1.00 0.33 H new ATOM 737 N ARG A 51 -3.120 2.048 8.054 1.00 0.31 N ATOM 738 CA ARG A 51 -3.358 3.477 7.885 1.00 0.37 C ATOM 739 C ARG A 51 -4.278 3.701 6.713 1.00 0.36 C ATOM 740 O ARG A 51 -5.176 4.545 6.756 1.00 0.40 O ATOM 741 CB ARG A 51 -2.034 4.220 7.716 1.00 0.45 C ATOM 742 CG ARG A 51 -1.085 3.881 8.831 1.00 0.54 C ATOM 743 CD ARG A 51 0.215 4.624 8.786 1.00 0.70 C ATOM 744 NE ARG A 51 1.106 4.053 9.801 1.00 1.59 N ATOM 745 CZ ARG A 51 2.158 4.630 10.362 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.475 5.887 10.090 1.00 1.27 N ATOM 747 NH2 ARG A 51 2.850 3.955 11.246 1.00 2.84 N ATOM 0 H ARG A 51 -2.166 1.760 7.835 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.842 3.875 8.777 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.585 3.958 6.758 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.215 5.295 7.700 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.574 4.087 9.783 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.879 2.811 8.803 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.665 4.543 7.797 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.053 5.685 8.976 1.00 0.70 H new ATOM 0 HE ARG A 51 0.892 3.105 10.110 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.905 6.427 9.439 1.00 1.27 H new ATOM 0 HH12 ARG A 51 3.289 6.315 10.532 1.00 1.27 H new ATOM 0 HH21 ARG A 51 2.575 3.004 11.490 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.664 4.381 11.690 1.00 2.84 H new ATOM 761 N LEU A 52 -4.078 2.892 5.685 1.00 0.32 N ATOM 762 CA LEU A 52 -4.900 2.910 4.501 1.00 0.34 C ATOM 763 C LEU A 52 -6.335 2.537 4.869 1.00 0.33 C ATOM 764 O LEU A 52 -7.285 3.226 4.475 1.00 0.37 O ATOM 765 CB LEU A 52 -4.325 1.933 3.459 1.00 0.35 C ATOM 766 CG LEU A 52 -2.998 2.352 2.807 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.337 1.173 2.116 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.251 3.444 1.788 1.00 0.69 C ATOM 0 H LEU A 52 -3.330 2.199 5.656 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.905 3.910 4.068 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.182 0.964 3.938 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.066 1.794 2.672 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.335 2.718 3.591 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.400 1.496 1.663 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.136 0.389 2.846 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.000 0.786 1.342 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.308 3.738 1.328 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -3.930 3.074 1.019 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.698 4.306 2.282 1.00 0.69 H new ATOM 780 N GLU A 53 -6.469 1.471 5.666 1.00 0.29 N ATOM 781 CA GLU A 53 -7.752 0.997 6.157 1.00 0.32 C ATOM 782 C GLU A 53 -8.490 2.084 6.889 1.00 0.35 C ATOM 783 O GLU A 53 -9.605 2.446 6.521 1.00 0.42 O ATOM 784 CB GLU A 53 -7.607 -0.189 7.121 1.00 0.32 C ATOM 785 CG GLU A 53 -7.065 -1.469 6.536 1.00 0.34 C ATOM 786 CD GLU A 53 -7.141 -2.593 7.538 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.237 -2.711 8.405 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.127 -3.359 7.514 1.00 0.48 O ATOM 0 H GLU A 53 -5.678 0.913 5.987 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.306 0.682 5.273 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -6.955 0.115 7.940 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.585 -0.399 7.553 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.631 -1.734 5.643 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.030 -1.322 6.226 1.00 0.34 H new ATOM 795 N SER A 54 -7.858 2.600 7.913 1.00 0.35 N ATOM 796 CA SER A 54 -8.473 3.566 8.774 1.00 0.41 C ATOM 797 C SER A 54 -8.827 4.868 8.032 1.00 0.45 C ATOM 798 O SER A 54 -10.001 5.259 7.983 1.00 0.55 O ATOM 799 CB SER A 54 -7.577 3.833 9.998 1.00 0.47 C ATOM 800 OG SER A 54 -8.248 4.621 10.968 1.00 1.19 O ATOM 0 H SER A 54 -6.901 2.359 8.170 1.00 0.35 H new ATOM 0 HA SER A 54 -9.418 3.149 9.123 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.274 2.885 10.443 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.667 4.341 9.681 1.00 0.47 H new ATOM 0 HG SER A 54 -7.655 4.772 11.734 1.00 1.19 H new ATOM 806 N ARG A 55 -7.831 5.483 7.414 1.00 0.44 N ATOM 807 CA ARG A 55 -7.985 6.794 6.796 1.00 0.54 C ATOM 808 C ARG A 55 -8.959 6.781 5.611 1.00 0.56 C ATOM 809 O ARG A 55 -9.808 7.667 5.480 1.00 0.68 O ATOM 810 CB ARG A 55 -6.621 7.311 6.336 1.00 0.63 C ATOM 811 CG ARG A 55 -6.634 8.730 5.812 1.00 0.83 C ATOM 812 CD ARG A 55 -5.301 9.098 5.190 1.00 1.08 C ATOM 813 NE ARG A 55 -4.166 8.994 6.112 1.00 1.65 N ATOM 814 CZ ARG A 55 -2.886 9.194 5.758 1.00 2.21 C ATOM 815 NH1 ARG A 55 -2.546 9.313 4.470 1.00 2.35 N ATOM 816 NH2 ARG A 55 -1.945 9.235 6.681 1.00 3.07 N ATOM 0 H ARG A 55 -6.894 5.090 7.326 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.407 7.457 7.551 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.923 7.252 7.171 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.241 6.652 5.555 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.426 8.840 5.071 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.861 9.419 6.626 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.120 8.450 4.332 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.357 10.119 4.812 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.361 8.755 7.084 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.262 9.252 3.746 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -1.571 9.465 4.212 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -2.189 9.115 7.664 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -0.973 9.387 6.412 1.00 3.07 H new ATOM 830 N TYR A 56 -8.852 5.781 4.759 1.00 0.50 N ATOM 831 CA TYR A 56 -9.638 5.776 3.535 1.00 0.57 C ATOM 832 C TYR A 56 -10.893 4.932 3.654 1.00 0.61 C ATOM 833 O TYR A 56 -11.690 4.885 2.737 1.00 0.74 O ATOM 834 CB TYR A 56 -8.775 5.355 2.335 1.00 0.62 C ATOM 835 CG TYR A 56 -7.523 6.198 2.211 1.00 0.67 C ATOM 836 CD1 TYR A 56 -7.591 7.499 1.748 1.00 0.75 C ATOM 837 CD2 TYR A 56 -6.274 5.677 2.503 1.00 0.74 C ATOM 838 CE1 TYR A 56 -6.456 8.263 1.580 1.00 0.85 C ATOM 839 CE2 TYR A 56 -5.128 6.439 2.348 1.00 0.85 C ATOM 840 CZ TYR A 56 -5.225 7.757 2.081 1.00 0.91 C ATOM 841 OH TYR A 56 -4.089 8.495 1.694 1.00 1.01 O ATOM 0 H TYR A 56 -8.241 4.974 4.885 1.00 0.50 H new ATOM 0 HA TYR A 56 -9.977 6.798 3.363 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -8.497 4.306 2.439 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -9.361 5.440 1.420 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -8.555 7.926 1.513 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -6.192 4.660 2.857 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -6.500 9.220 1.081 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -4.156 5.977 2.441 1.00 0.85 H new ATOM 0 HH TYR A 56 -3.286 8.085 2.078 1.00 1.01 H new ATOM 851 N GLY A 57 -11.065 4.282 4.788 1.00 0.58 N ATOM 852 CA GLY A 57 -12.273 3.506 5.022 1.00 0.66 C ATOM 853 C GLY A 57 -12.315 2.226 4.213 1.00 0.71 C ATOM 854 O GLY A 57 -13.353 1.869 3.641 1.00 0.93 O ATOM 0 H GLY A 57 -10.394 4.273 5.556 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.343 3.263 6.082 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.143 4.114 4.776 1.00 0.66 H new ATOM 858 N VAL A 58 -11.206 1.538 4.166 1.00 0.60 N ATOM 859 CA VAL A 58 -11.110 0.298 3.431 1.00 0.65 C ATOM 860 C VAL A 58 -10.859 -0.854 4.407 1.00 0.60 C ATOM 861 O VAL A 58 -10.218 -0.672 5.440 1.00 0.70 O ATOM 862 CB VAL A 58 -10.010 0.361 2.306 1.00 0.69 C ATOM 863 CG1 VAL A 58 -8.623 0.600 2.857 1.00 1.09 C ATOM 864 CG2 VAL A 58 -10.033 -0.877 1.431 1.00 1.16 C ATOM 0 H VAL A 58 -10.344 1.817 4.634 1.00 0.60 H new ATOM 0 HA VAL A 58 -12.056 0.125 2.918 1.00 0.65 H new ATOM 0 HB VAL A 58 -10.261 1.222 1.687 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -7.906 0.634 2.036 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -8.604 1.548 3.395 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -8.357 -0.209 3.537 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -9.260 -0.797 0.667 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -9.847 -1.759 2.044 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -11.008 -0.966 0.953 1.00 1.16 H new ATOM 874 N SER A 59 -11.435 -1.981 4.139 1.00 0.62 N ATOM 875 CA SER A 59 -11.263 -3.141 4.966 1.00 0.67 C ATOM 876 C SER A 59 -10.221 -4.066 4.324 1.00 0.59 C ATOM 877 O SER A 59 -10.400 -4.497 3.166 1.00 0.72 O ATOM 878 CB SER A 59 -12.611 -3.841 5.068 1.00 0.92 C ATOM 879 OG SER A 59 -13.653 -2.869 5.246 1.00 1.87 O ATOM 0 H SER A 59 -12.044 -2.128 3.334 1.00 0.62 H new ATOM 0 HA SER A 59 -10.913 -2.868 5.962 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.797 -4.425 4.167 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.606 -4.539 5.905 1.00 0.92 H new ATOM 0 HG SER A 59 -14.518 -3.325 5.309 1.00 1.87 H new ATOM 885 N ILE A 60 -9.136 -4.345 5.025 1.00 0.48 N ATOM 886 CA ILE A 60 -8.108 -5.225 4.503 1.00 0.45 C ATOM 887 C ILE A 60 -7.832 -6.336 5.510 1.00 0.51 C ATOM 888 O ILE A 60 -7.261 -6.083 6.577 1.00 0.57 O ATOM 889 CB ILE A 60 -6.766 -4.476 4.232 1.00 0.40 C ATOM 890 CG1 ILE A 60 -6.975 -3.267 3.306 1.00 0.40 C ATOM 891 CG2 ILE A 60 -5.741 -5.435 3.619 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.716 -2.450 3.086 1.00 0.41 C ATOM 0 H ILE A 60 -8.945 -3.975 5.956 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.478 -5.624 3.559 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.390 -4.108 5.187 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.345 -3.617 2.342 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.747 -2.624 3.729 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.809 -4.901 3.434 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.557 -6.260 4.308 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.127 -5.827 2.678 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -5.936 -1.613 2.423 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.357 -2.070 4.043 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -4.949 -3.079 2.634 1.00 0.41 H new ATOM 904 N PRO A 61 -8.272 -7.567 5.214 1.00 0.58 N ATOM 905 CA PRO A 61 -8.002 -8.719 6.069 1.00 0.66 C ATOM 906 C PRO A 61 -6.493 -8.934 6.240 1.00 0.56 C ATOM 907 O PRO A 61 -5.722 -8.761 5.282 1.00 0.44 O ATOM 908 CB PRO A 61 -8.628 -9.888 5.305 1.00 0.78 C ATOM 909 CG PRO A 61 -9.660 -9.255 4.439 1.00 0.87 C ATOM 910 CD PRO A 61 -9.090 -7.930 4.045 1.00 0.66 C ATOM 0 HA PRO A 61 -8.405 -8.600 7.075 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.883 -10.419 4.712 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.072 -10.615 5.985 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.868 -9.869 3.563 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.602 -9.134 4.974 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.490 -8.001 3.138 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.871 -7.194 3.854 1.00 0.66 H new ATOM 918 N ASP A 62 -6.097 -9.317 7.446 1.00 0.67 N ATOM 919 CA ASP A 62 -4.681 -9.491 7.847 1.00 0.67 C ATOM 920 C ASP A 62 -3.913 -10.387 6.891 1.00 0.54 C ATOM 921 O ASP A 62 -2.759 -10.110 6.555 1.00 0.52 O ATOM 922 CB ASP A 62 -4.567 -10.064 9.269 1.00 0.90 C ATOM 923 CG ASP A 62 -5.160 -9.171 10.333 1.00 1.18 C ATOM 924 OD1 ASP A 62 -4.438 -8.300 10.869 1.00 1.83 O ATOM 925 OD2 ASP A 62 -6.345 -9.304 10.648 1.00 1.29 O ATOM 0 H ASP A 62 -6.754 -9.523 8.199 1.00 0.67 H new ATOM 0 HA ASP A 62 -4.238 -8.495 7.818 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.065 -11.033 9.302 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.516 -10.238 9.498 1.00 0.90 H new ATOM 930 N ASP A 63 -4.554 -11.447 6.430 1.00 0.56 N ATOM 931 CA ASP A 63 -3.910 -12.379 5.511 1.00 0.55 C ATOM 932 C ASP A 63 -3.686 -11.738 4.165 1.00 0.44 C ATOM 933 O ASP A 63 -2.622 -11.860 3.602 1.00 0.46 O ATOM 934 CB ASP A 63 -4.699 -13.686 5.363 1.00 0.75 C ATOM 935 CG ASP A 63 -4.065 -14.654 4.368 1.00 1.54 C ATOM 936 OD1 ASP A 63 -2.933 -15.146 4.620 1.00 1.84 O ATOM 937 OD2 ASP A 63 -4.707 -14.985 3.352 1.00 2.34 O ATOM 0 H ASP A 63 -5.515 -11.686 6.673 1.00 0.56 H new ATOM 0 HA ASP A 63 -2.942 -12.633 5.942 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -4.774 -14.171 6.336 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.715 -13.457 5.042 1.00 0.75 H new ATOM 942 N VAL A 64 -4.641 -10.946 3.716 1.00 0.41 N ATOM 943 CA VAL A 64 -4.544 -10.292 2.411 1.00 0.40 C ATOM 944 C VAL A 64 -3.461 -9.220 2.475 1.00 0.34 C ATOM 945 O VAL A 64 -2.670 -9.061 1.537 1.00 0.41 O ATOM 946 CB VAL A 64 -5.896 -9.649 1.994 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.775 -8.943 0.656 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.987 -10.699 1.928 1.00 0.66 C ATOM 0 H VAL A 64 -5.496 -10.736 4.231 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.290 -11.044 1.664 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.161 -8.910 2.751 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.736 -8.502 0.389 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -5.022 -8.158 0.726 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.480 -9.661 -0.109 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.926 -10.230 1.635 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.716 -11.459 1.195 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.104 -11.164 2.907 1.00 0.66 H new ATOM 958 N ALA A 65 -3.398 -8.538 3.608 1.00 0.33 N ATOM 959 CA ALA A 65 -2.372 -7.532 3.879 1.00 0.39 C ATOM 960 C ALA A 65 -0.952 -8.127 3.803 1.00 0.41 C ATOM 961 O ALA A 65 0.015 -7.408 3.605 1.00 0.51 O ATOM 962 CB ALA A 65 -2.612 -6.888 5.237 1.00 0.46 C ATOM 0 H ALA A 65 -4.060 -8.665 4.373 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.445 -6.767 3.106 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.841 -6.141 5.427 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.591 -6.409 5.245 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.576 -7.652 6.014 1.00 0.46 H new ATOM 968 N GLY A 66 -0.852 -9.442 3.954 1.00 0.40 N ATOM 969 CA GLY A 66 0.425 -10.107 3.876 1.00 0.48 C ATOM 970 C GLY A 66 0.543 -10.983 2.637 1.00 0.48 C ATOM 971 O GLY A 66 1.487 -11.759 2.509 1.00 0.61 O ATOM 0 H GLY A 66 -1.644 -10.061 4.131 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.221 -9.362 3.869 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.569 -10.719 4.766 1.00 0.48 H new ATOM 975 N ARG A 67 -0.439 -10.896 1.743 1.00 0.43 N ATOM 976 CA ARG A 67 -0.402 -11.649 0.478 1.00 0.48 C ATOM 977 C ARG A 67 0.018 -10.741 -0.649 1.00 0.36 C ATOM 978 O ARG A 67 0.372 -11.195 -1.755 1.00 0.40 O ATOM 979 CB ARG A 67 -1.759 -12.275 0.130 1.00 0.64 C ATOM 980 CG ARG A 67 -2.234 -13.356 1.078 1.00 1.16 C ATOM 981 CD ARG A 67 -1.241 -14.494 1.194 1.00 1.45 C ATOM 982 NE ARG A 67 -1.052 -15.232 -0.063 1.00 2.16 N ATOM 983 CZ ARG A 67 -0.295 -16.339 -0.173 1.00 3.05 C ATOM 984 NH1 ARG A 67 0.427 -16.762 0.867 1.00 3.43 N ATOM 985 NH2 ARG A 67 -0.240 -17.005 -1.316 1.00 3.98 N ATOM 0 H ARG A 67 -1.269 -10.316 1.864 1.00 0.43 H new ATOM 0 HA ARG A 67 0.319 -12.456 0.610 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -2.509 -11.484 0.101 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.700 -12.695 -0.874 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -2.404 -12.923 2.064 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -3.191 -13.746 0.731 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -0.280 -14.097 1.522 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -1.580 -15.185 1.966 1.00 1.45 H new ATOM 0 HE ARG A 67 -1.521 -14.885 -0.900 1.00 2.16 H new ATOM 0 HH11 ARG A 67 0.405 -16.246 1.747 1.00 3.43 H new ATOM 0 HH12 ARG A 67 1.000 -17.601 0.782 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -0.774 -16.680 -2.122 1.00 3.98 H new ATOM 0 HH22 ARG A 67 0.336 -17.843 -1.391 1.00 3.98 H new ATOM 999 N VAL A 68 -0.045 -9.462 -0.388 1.00 0.33 N ATOM 1000 CA VAL A 68 0.343 -8.482 -1.351 1.00 0.34 C ATOM 1001 C VAL A 68 1.864 -8.386 -1.392 1.00 0.35 C ATOM 1002 O VAL A 68 2.510 -7.876 -0.497 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.350 -7.106 -1.105 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.851 -7.243 -1.323 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.084 -6.569 0.291 1.00 0.41 C ATOM 0 H VAL A 68 -0.367 -9.077 0.500 1.00 0.33 H new ATOM 0 HA VAL A 68 -0.001 -8.798 -2.336 1.00 0.34 H new ATOM 0 HB VAL A 68 0.071 -6.395 -1.816 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.333 -6.281 -1.151 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -2.042 -7.566 -2.346 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.254 -7.980 -0.628 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.587 -5.610 0.414 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.463 -7.275 1.031 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.989 -6.437 0.432 1.00 0.41 H new ATOM 1015 N ASP A 69 2.404 -9.005 -2.390 1.00 0.36 N ATOM 1016 CA ASP A 69 3.845 -9.093 -2.597 1.00 0.40 C ATOM 1017 C ASP A 69 4.356 -7.918 -3.392 1.00 0.32 C ATOM 1018 O ASP A 69 5.505 -7.496 -3.253 1.00 0.32 O ATOM 1019 CB ASP A 69 4.128 -10.414 -3.311 1.00 0.57 C ATOM 1020 CG ASP A 69 5.506 -10.577 -3.884 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.419 -10.915 -3.112 1.00 1.27 O ATOM 1022 OD2 ASP A 69 5.719 -10.254 -5.078 1.00 1.91 O ATOM 0 H ASP A 69 1.859 -9.480 -3.110 1.00 0.36 H new ATOM 0 HA ASP A 69 4.366 -9.065 -1.640 1.00 0.40 H new ATOM 0 HB2 ASP A 69 3.951 -11.228 -2.608 1.00 0.57 H new ATOM 0 HB3 ASP A 69 3.405 -10.528 -4.119 1.00 0.57 H new ATOM 1027 N THR A 70 3.489 -7.355 -4.172 1.00 0.32 N ATOM 1028 CA THR A 70 3.823 -6.257 -5.012 1.00 0.31 C ATOM 1029 C THR A 70 2.742 -5.181 -4.877 1.00 0.27 C ATOM 1030 O THR A 70 1.571 -5.504 -4.601 1.00 0.29 O ATOM 1031 CB THR A 70 3.928 -6.735 -6.480 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.740 -7.468 -6.827 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.143 -7.626 -6.683 1.00 0.47 C ATOM 0 H THR A 70 2.516 -7.652 -4.242 1.00 0.32 H new ATOM 0 HA THR A 70 4.785 -5.840 -4.715 1.00 0.31 H new ATOM 0 HB THR A 70 4.033 -5.859 -7.119 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.802 -7.771 -7.757 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.190 -7.946 -7.724 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.047 -7.071 -6.433 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.064 -8.501 -6.038 1.00 0.47 H new ATOM 1041 N PRO A 71 3.114 -3.892 -4.996 1.00 0.25 N ATOM 1042 CA PRO A 71 2.173 -2.776 -4.930 1.00 0.24 C ATOM 1043 C PRO A 71 1.062 -2.912 -5.941 1.00 0.21 C ATOM 1044 O PRO A 71 -0.054 -2.539 -5.666 1.00 0.25 O ATOM 1045 CB PRO A 71 3.034 -1.554 -5.227 1.00 0.29 C ATOM 1046 CG PRO A 71 4.390 -1.966 -4.814 1.00 0.32 C ATOM 1047 CD PRO A 71 4.489 -3.417 -5.151 1.00 0.30 C ATOM 0 HA PRO A 71 1.672 -2.721 -3.964 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.001 -1.290 -6.284 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.695 -0.681 -4.669 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.152 -1.389 -5.338 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.542 -1.800 -3.748 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.856 -3.570 -6.166 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.173 -3.940 -4.483 1.00 0.30 H new ATOM 1055 N ARG A 72 1.382 -3.446 -7.114 1.00 0.22 N ATOM 1056 CA ARG A 72 0.391 -3.709 -8.151 1.00 0.26 C ATOM 1057 C ARG A 72 -0.774 -4.577 -7.619 1.00 0.25 C ATOM 1058 O ARG A 72 -1.930 -4.323 -7.934 1.00 0.29 O ATOM 1059 CB ARG A 72 1.058 -4.272 -9.426 1.00 0.40 C ATOM 1060 CG ARG A 72 1.770 -5.611 -9.271 1.00 0.92 C ATOM 1061 CD ARG A 72 2.828 -5.809 -10.359 1.00 0.95 C ATOM 1062 NE ARG A 72 2.302 -5.573 -11.710 1.00 0.67 N ATOM 1063 CZ ARG A 72 3.001 -5.687 -12.862 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.276 -6.069 -12.858 1.00 1.48 N ATOM 1065 NH2 ARG A 72 2.408 -5.430 -14.024 1.00 1.29 N ATOM 0 H ARG A 72 2.333 -3.708 -7.373 1.00 0.22 H new ATOM 0 HA ARG A 72 -0.064 -2.763 -8.443 1.00 0.26 H new ATOM 0 HB2 ARG A 72 0.294 -4.376 -10.196 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.779 -3.539 -9.789 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.241 -5.663 -8.289 1.00 0.92 H new ATOM 0 HG3 ARG A 72 1.041 -6.420 -9.318 1.00 0.92 H new ATOM 0 HD2 ARG A 72 3.663 -5.133 -10.175 1.00 0.95 H new ATOM 0 HD3 ARG A 72 3.220 -6.824 -10.298 1.00 0.95 H new ATOM 0 HE ARG A 72 1.322 -5.299 -11.786 1.00 0.67 H new ATOM 0 HH11 ARG A 72 4.742 -6.281 -11.976 1.00 1.48 H new ATOM 0 HH12 ARG A 72 4.787 -6.149 -13.737 1.00 1.48 H new ATOM 0 HH21 ARG A 72 1.428 -5.148 -14.045 1.00 1.29 H new ATOM 0 HH22 ARG A 72 2.933 -5.515 -14.894 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.444 -5.577 -6.783 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.442 -6.416 -6.113 1.00 0.28 C ATOM 1081 C GLU A 73 -2.236 -5.602 -5.098 1.00 0.26 C ATOM 1082 O GLU A 73 -3.471 -5.608 -5.089 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.759 -7.578 -5.380 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.241 -8.678 -6.274 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.362 -9.439 -6.917 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.980 -10.292 -6.263 1.00 1.24 O ATOM 1087 OE2 GLU A 73 -1.641 -9.195 -8.099 1.00 2.13 O ATOM 0 H GLU A 73 0.520 -5.822 -6.556 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.115 -6.804 -6.877 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.073 -7.182 -4.797 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.468 -8.008 -4.672 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.399 -8.250 -7.046 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.376 -9.361 -5.691 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.500 -4.873 -4.281 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.048 -4.122 -3.160 1.00 0.28 C ATOM 1096 C LEU A 74 -2.950 -2.979 -3.632 1.00 0.26 C ATOM 1097 O LEU A 74 -4.072 -2.833 -3.142 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.863 -3.650 -2.247 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.159 -2.846 -0.951 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.477 -1.405 -1.242 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.279 -3.490 -0.140 1.00 0.90 C ATOM 0 H LEU A 74 -0.489 -4.782 -4.376 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.700 -4.761 -2.564 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.302 -4.539 -1.957 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.201 -3.042 -2.863 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.248 -2.868 -0.353 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.677 -0.881 -0.308 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.629 -0.940 -1.745 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.355 -1.349 -1.885 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.461 -2.902 0.760 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.188 -3.526 -0.740 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.989 -4.503 0.140 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.467 -2.202 -4.585 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.205 -1.077 -5.142 1.00 0.23 C ATOM 1115 C LEU A 75 -4.540 -1.561 -5.694 1.00 0.24 C ATOM 1116 O LEU A 75 -5.601 -0.998 -5.387 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.386 -0.419 -6.259 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.929 0.898 -6.788 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.899 1.939 -5.687 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.129 1.367 -7.994 1.00 0.34 C ATOM 0 H LEU A 75 -1.544 -2.333 -4.999 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.388 -0.344 -4.356 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.374 -0.252 -5.891 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.311 -1.120 -7.090 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.960 0.751 -7.110 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.289 2.883 -6.068 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.514 1.603 -4.852 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.873 2.081 -5.348 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.536 2.311 -8.356 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.087 1.507 -7.707 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.190 0.619 -8.785 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.472 -2.643 -6.464 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.646 -3.268 -7.070 1.00 0.25 C ATOM 1134 C ASP A 76 -6.632 -3.730 -6.013 1.00 0.27 C ATOM 1135 O ASP A 76 -7.841 -3.519 -6.141 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.236 -4.465 -7.927 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.428 -5.190 -8.511 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -6.993 -4.706 -9.522 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.840 -6.238 -7.951 1.00 0.57 O ATOM 0 H ASP A 76 -3.596 -3.115 -6.687 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.126 -2.516 -7.697 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.589 -4.125 -8.736 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.653 -5.159 -7.322 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.106 -4.335 -4.960 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.918 -4.850 -3.874 1.00 0.36 C ATOM 1146 C LEU A 77 -7.682 -3.703 -3.220 1.00 0.34 C ATOM 1147 O LEU A 77 -8.897 -3.780 -3.055 1.00 0.38 O ATOM 1148 CB LEU A 77 -6.021 -5.615 -2.854 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.709 -6.466 -1.742 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.389 -5.617 -0.665 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.697 -7.450 -2.356 1.00 1.96 C ATOM 0 H LEU A 77 -5.104 -4.482 -4.836 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.649 -5.560 -4.259 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.368 -6.278 -3.421 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.382 -4.882 -2.361 1.00 0.47 H new ATOM 0 HG LEU A 77 -5.915 -7.019 -1.240 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.848 -6.270 0.077 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -6.648 -4.982 -0.181 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -8.157 -4.994 -1.124 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -8.167 -8.035 -1.565 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -8.462 -6.902 -2.906 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.170 -8.118 -3.037 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.979 -2.625 -2.899 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.609 -1.477 -2.265 1.00 0.34 C ATOM 1165 C ILE A 78 -8.602 -0.826 -3.216 1.00 0.31 C ATOM 1166 O ILE A 78 -9.693 -0.489 -2.811 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.583 -0.425 -1.782 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.548 -1.086 -0.874 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.303 0.692 -1.024 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.493 -0.143 -0.358 1.00 0.55 C ATOM 0 H ILE A 78 -5.978 -2.522 -3.066 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.131 -1.852 -1.385 1.00 0.34 H new ATOM 0 HB ILE A 78 -6.075 0.001 -2.647 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -6.061 -1.540 -0.026 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.062 -1.893 -1.422 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.575 1.430 -0.686 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -8.027 1.171 -1.683 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.821 0.272 -0.162 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.797 -0.689 0.279 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.952 0.292 -1.198 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.966 0.651 0.220 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.226 -0.674 -4.491 1.00 0.29 N ATOM 1183 CA ASN A 79 -9.151 -0.095 -5.489 1.00 0.31 C ATOM 1184 C ASN A 79 -10.418 -0.931 -5.587 1.00 0.32 C ATOM 1185 O ASN A 79 -11.513 -0.395 -5.611 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.531 0.061 -6.908 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.599 1.272 -7.119 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -7.590 1.864 -8.203 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.788 1.617 -6.145 1.00 0.52 N ATOM 0 H ASN A 79 -7.310 -0.935 -4.857 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.379 0.908 -5.129 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.971 -0.845 -7.138 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.344 0.125 -7.631 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -6.133 2.388 -6.276 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.813 1.114 -5.258 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.249 -2.243 -5.599 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.373 -3.153 -5.668 1.00 0.42 C ATOM 1198 C GLY A 80 -12.232 -3.103 -4.418 1.00 0.45 C ATOM 1199 O GLY A 80 -13.454 -3.145 -4.497 1.00 0.53 O ATOM 0 H GLY A 80 -9.338 -2.700 -5.562 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.984 -2.907 -6.536 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.007 -4.169 -5.814 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.599 -3.005 -3.269 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.316 -2.932 -2.004 1.00 0.52 C ATOM 1205 C ALA A 81 -13.036 -1.587 -1.872 1.00 0.51 C ATOM 1206 O ALA A 81 -14.206 -1.527 -1.494 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.364 -3.163 -0.841 1.00 0.59 C ATOM 0 H ALA A 81 -10.583 -2.974 -3.180 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.070 -3.719 -1.983 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.915 -3.105 0.098 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.908 -4.149 -0.934 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.585 -2.401 -0.852 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.347 -0.519 -2.243 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.898 0.824 -2.201 1.00 0.56 C ATOM 1215 C LEU A 82 -13.972 1.034 -3.262 1.00 0.59 C ATOM 1216 O LEU A 82 -14.753 1.973 -3.184 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.793 1.875 -2.318 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.958 2.140 -1.062 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.911 3.207 -1.336 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.854 2.570 0.091 1.00 1.10 C ATOM 0 H LEU A 82 -11.386 -0.561 -2.583 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.379 0.945 -1.230 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -11.117 1.570 -3.117 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -12.249 2.815 -2.627 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.451 1.216 -0.785 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -9.326 3.383 -0.433 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -9.251 2.872 -2.136 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -10.404 4.132 -1.635 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -11.245 2.754 0.976 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -12.384 3.483 -0.181 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -12.575 1.781 0.305 1.00 1.10 H new ATOM 1232 N ALA A 83 -14.013 0.150 -4.247 1.00 0.57 N ATOM 1233 CA ALA A 83 -15.052 0.175 -5.264 1.00 0.67 C ATOM 1234 C ALA A 83 -16.423 -0.090 -4.642 1.00 0.72 C ATOM 1235 O ALA A 83 -17.452 0.274 -5.206 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.760 -0.827 -6.368 1.00 0.76 C ATOM 0 H ALA A 83 -13.332 -0.600 -4.364 1.00 0.57 H new ATOM 0 HA ALA A 83 -15.064 1.170 -5.708 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.553 -0.787 -7.115 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.807 -0.584 -6.837 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.710 -1.830 -5.945 1.00 0.76 H new