USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 -63:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00438 USER MOD Single : A 17 SER OG : rot 83:sc= 1.33 USER MOD Single : A 27 SER OG : rot 92:sc= 1.32 USER MOD Single : A 40 TYR OH : rot 29:sc= 1.26 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.242 (180deg=-0.883) USER MOD Single : A 48 THR OG1 : rot 81:sc= 0.301 USER MOD Single : A 54 SER OG : rot -86:sc= 1.1 USER MOD Single : A 56 TYR OH : rot 165:sc= -0.375 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 70 THR OG1 : rot -115:sc= -4.06! USER MOD Single : A 79 ASN : amide:sc= 0.0494 X(o=0.049,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 13.847 -4.299 3.354 1.00 0.80 N ATOM 45 CA LEU A 4 13.091 -3.972 2.184 1.00 0.65 C ATOM 46 C LEU A 4 11.761 -4.677 2.301 1.00 0.68 C ATOM 47 O LEU A 4 11.725 -5.872 2.609 1.00 0.86 O ATOM 48 CB LEU A 4 13.847 -4.446 0.928 1.00 0.70 C ATOM 49 CG LEU A 4 13.209 -4.120 -0.430 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.135 -2.616 -0.651 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.995 -4.779 -1.555 1.00 1.01 C ATOM 0 HA LEU A 4 12.943 -2.896 2.098 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.845 -4.009 0.948 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.971 -5.527 0.994 1.00 0.70 H new ATOM 0 HG LEU A 4 12.193 -4.515 -0.430 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.679 -2.413 -1.620 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.533 -2.162 0.136 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.140 -2.195 -0.627 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.531 -4.539 -2.512 1.00 1.01 H new ATOM 0 HD22 LEU A 4 15.021 -4.411 -1.547 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.997 -5.860 -1.413 1.00 1.01 H new ATOM 63 N LEU A 5 10.687 -3.939 2.107 1.00 0.60 N ATOM 64 CA LEU A 5 9.338 -4.485 2.221 1.00 0.64 C ATOM 65 C LEU A 5 9.077 -5.596 1.223 1.00 0.59 C ATOM 66 O LEU A 5 9.101 -5.377 0.008 1.00 0.61 O ATOM 67 CB LEU A 5 8.279 -3.390 2.051 1.00 0.69 C ATOM 68 CG LEU A 5 8.225 -2.323 3.134 1.00 0.90 C ATOM 69 CD1 LEU A 5 7.066 -1.389 2.887 1.00 1.61 C ATOM 70 CD2 LEU A 5 8.094 -2.966 4.491 1.00 1.54 C ATOM 0 H LEU A 5 10.717 -2.948 1.867 1.00 0.60 H new ATOM 0 HA LEU A 5 9.266 -4.906 3.224 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.449 -2.896 1.094 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.301 -3.868 1.994 1.00 0.69 H new ATOM 0 HG LEU A 5 9.151 -1.748 3.106 1.00 0.90 H new ATOM 0 HD11 LEU A 5 7.038 -0.630 3.669 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.188 -0.907 1.917 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.134 -1.955 2.897 1.00 1.61 H new ATOM 0 HD21 LEU A 5 8.056 -2.192 5.258 1.00 1.54 H new ATOM 0 HD22 LEU A 5 7.179 -3.557 4.527 1.00 1.54 H new ATOM 0 HD23 LEU A 5 8.952 -3.614 4.671 1.00 1.54 H new ATOM 82 N THR A 6 8.831 -6.767 1.740 1.00 0.61 N ATOM 83 CA THR A 6 8.508 -7.892 0.933 1.00 0.63 C ATOM 84 C THR A 6 6.987 -8.058 0.886 1.00 0.57 C ATOM 85 O THR A 6 6.243 -7.212 1.429 1.00 0.59 O ATOM 86 CB THR A 6 9.187 -9.192 1.453 1.00 0.79 C ATOM 87 OG1 THR A 6 8.795 -9.460 2.824 1.00 0.95 O ATOM 88 CG2 THR A 6 10.707 -9.083 1.367 1.00 0.97 C ATOM 0 H THR A 6 8.851 -6.961 2.741 1.00 0.61 H new ATOM 0 HA THR A 6 8.889 -7.716 -0.073 1.00 0.63 H new ATOM 0 HB THR A 6 8.857 -10.016 0.820 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.105 -8.731 3.401 1.00 0.95 H new ATOM 0 HG21 THR A 6 11.159 -10.004 1.736 1.00 0.97 H new ATOM 0 HG22 THR A 6 11.002 -8.924 0.330 1.00 0.97 H new ATOM 0 HG23 THR A 6 11.046 -8.243 1.974 1.00 0.97 H new ATOM 96 N THR A 7 6.517 -9.153 0.312 1.00 0.60 N ATOM 97 CA THR A 7 5.094 -9.410 0.220 1.00 0.59 C ATOM 98 C THR A 7 4.552 -9.801 1.617 1.00 0.53 C ATOM 99 O THR A 7 3.350 -9.740 1.885 1.00 0.56 O ATOM 100 CB THR A 7 4.824 -10.558 -0.777 1.00 0.69 C ATOM 101 OG1 THR A 7 5.709 -10.422 -1.908 1.00 0.90 O ATOM 102 CG2 THR A 7 3.384 -10.523 -1.282 1.00 0.81 C ATOM 0 H THR A 7 7.105 -9.879 -0.098 1.00 0.60 H new ATOM 0 HA THR A 7 4.591 -8.509 -0.132 1.00 0.59 H new ATOM 0 HB THR A 7 4.994 -11.503 -0.262 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.543 -11.150 -2.543 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.224 -11.343 -1.982 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.700 -10.627 -0.439 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.198 -9.574 -1.786 1.00 0.81 H new ATOM 110 N ASP A 8 5.473 -10.138 2.511 1.00 0.54 N ATOM 111 CA ASP A 8 5.139 -10.550 3.861 1.00 0.54 C ATOM 112 C ASP A 8 4.864 -9.325 4.715 1.00 0.52 C ATOM 113 O ASP A 8 3.859 -9.255 5.425 1.00 0.54 O ATOM 114 CB ASP A 8 6.292 -11.368 4.459 1.00 0.63 C ATOM 115 CG ASP A 8 5.965 -11.955 5.816 1.00 1.48 C ATOM 116 OD1 ASP A 8 5.274 -12.981 5.870 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.435 -11.432 6.839 1.00 2.26 O ATOM 0 H ASP A 8 6.474 -10.132 2.316 1.00 0.54 H new ATOM 0 HA ASP A 8 4.245 -11.173 3.837 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.550 -12.175 3.774 1.00 0.63 H new ATOM 0 HB3 ASP A 8 7.173 -10.732 4.548 1.00 0.63 H new ATOM 122 N ASP A 9 5.745 -8.336 4.589 1.00 0.57 N ATOM 123 CA ASP A 9 5.642 -7.071 5.328 1.00 0.64 C ATOM 124 C ASP A 9 4.394 -6.332 4.901 1.00 0.59 C ATOM 125 O ASP A 9 3.619 -5.841 5.737 1.00 0.63 O ATOM 126 CB ASP A 9 6.831 -6.150 5.030 1.00 0.79 C ATOM 127 CG ASP A 9 8.185 -6.739 5.307 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.724 -7.460 4.457 1.00 2.47 O ATOM 129 OD2 ASP A 9 8.702 -6.538 6.433 1.00 1.70 O ATOM 0 H ASP A 9 6.555 -8.385 3.971 1.00 0.57 H new ATOM 0 HA ASP A 9 5.620 -7.318 6.389 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.788 -5.857 3.981 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.721 -5.240 5.620 1.00 0.79 H new ATOM 134 N LEU A 10 4.200 -6.268 3.583 1.00 0.54 N ATOM 135 CA LEU A 10 3.072 -5.563 2.988 1.00 0.54 C ATOM 136 C LEU A 10 1.749 -6.140 3.452 1.00 0.53 C ATOM 137 O LEU A 10 0.807 -5.395 3.702 1.00 0.59 O ATOM 138 CB LEU A 10 3.125 -5.615 1.462 1.00 0.55 C ATOM 139 CG LEU A 10 1.989 -4.868 0.746 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.104 -3.358 0.931 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.926 -5.242 -0.720 1.00 0.65 C ATOM 0 H LEU A 10 4.821 -6.704 2.902 1.00 0.54 H new ATOM 0 HA LEU A 10 3.146 -4.526 3.316 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.077 -5.199 1.132 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.107 -6.659 1.148 1.00 0.55 H new ATOM 0 HG LEU A 10 1.052 -5.179 1.208 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.283 -2.864 0.411 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.058 -3.117 1.993 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.053 -3.013 0.522 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.113 -4.698 -1.200 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.869 -4.984 -1.202 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.751 -6.314 -0.815 1.00 0.65 H new ATOM 153 N ARG A 11 1.695 -7.461 3.587 1.00 0.49 N ATOM 154 CA ARG A 11 0.472 -8.146 3.979 1.00 0.50 C ATOM 155 C ARG A 11 -0.022 -7.633 5.307 1.00 0.54 C ATOM 156 O ARG A 11 -1.165 -7.238 5.429 1.00 0.63 O ATOM 157 CB ARG A 11 0.696 -9.657 4.041 1.00 0.51 C ATOM 158 CG ARG A 11 -0.566 -10.477 4.317 1.00 0.61 C ATOM 159 CD ARG A 11 -0.261 -11.966 4.284 1.00 0.72 C ATOM 160 NE ARG A 11 0.669 -12.348 5.349 1.00 0.96 N ATOM 161 CZ ARG A 11 1.926 -12.778 5.171 1.00 1.24 C ATOM 162 NH1 ARG A 11 2.442 -12.887 3.938 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.646 -13.126 6.213 1.00 1.80 N ATOM 0 H ARG A 11 2.490 -8.080 3.429 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.289 -7.941 3.226 1.00 0.50 H new ATOM 0 HB2 ARG A 11 1.128 -9.986 3.096 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.430 -9.871 4.818 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.975 -10.207 5.291 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.328 -10.241 3.574 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.188 -12.530 4.389 1.00 0.72 H new ATOM 0 HD3 ARG A 11 0.165 -12.230 3.316 1.00 0.72 H new ATOM 0 HE ARG A 11 0.331 -12.281 6.309 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.877 -12.642 3.125 1.00 1.65 H new ATOM 0 HH12 ARG A 11 3.400 -13.215 3.813 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.248 -13.068 7.150 1.00 1.80 H new ATOM 0 HH22 ARG A 11 3.603 -13.454 6.085 1.00 1.80 H new ATOM 177 N ARG A 12 0.885 -7.566 6.266 1.00 0.54 N ATOM 178 CA ARG A 12 0.560 -7.124 7.619 1.00 0.60 C ATOM 179 C ARG A 12 0.012 -5.704 7.568 1.00 0.58 C ATOM 180 O ARG A 12 -1.090 -5.421 8.037 1.00 0.66 O ATOM 181 CB ARG A 12 1.823 -7.115 8.482 1.00 0.68 C ATOM 182 CG ARG A 12 2.674 -8.366 8.388 1.00 0.80 C ATOM 183 CD ARG A 12 3.921 -8.205 9.228 1.00 0.96 C ATOM 184 NE ARG A 12 4.964 -9.175 8.892 1.00 1.50 N ATOM 185 CZ ARG A 12 6.217 -9.136 9.376 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.547 -8.252 10.315 1.00 2.23 N ATOM 187 NH2 ARG A 12 7.122 -9.971 8.913 1.00 2.93 N ATOM 0 H ARG A 12 1.865 -7.815 6.134 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.178 -7.805 8.043 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.433 -6.257 8.198 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.533 -6.969 9.522 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.104 -9.230 8.729 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.946 -8.554 7.349 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.314 -7.197 9.096 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.660 -8.310 10.281 1.00 0.96 H new ATOM 0 HE ARG A 12 4.724 -9.930 8.249 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.847 -7.600 10.670 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.499 -8.226 10.679 1.00 2.23 H new ATOM 0 HH21 ARG A 12 6.871 -10.645 8.189 1.00 2.93 H new ATOM 0 HH22 ARG A 12 8.074 -9.945 9.278 1.00 2.93 H new ATOM 201 N ALA A 13 0.772 -4.844 6.914 1.00 0.54 N ATOM 202 CA ALA A 13 0.456 -3.429 6.825 1.00 0.58 C ATOM 203 C ALA A 13 -0.854 -3.159 6.089 1.00 0.56 C ATOM 204 O ALA A 13 -1.644 -2.318 6.519 1.00 0.65 O ATOM 205 CB ALA A 13 1.602 -2.660 6.183 1.00 0.66 C ATOM 0 H ALA A 13 1.629 -5.108 6.428 1.00 0.54 H new ATOM 0 HA ALA A 13 0.320 -3.075 7.847 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.344 -1.603 6.126 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.503 -2.782 6.784 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.780 -3.044 5.179 1.00 0.66 H new ATOM 211 N LEU A 14 -1.098 -3.879 5.012 1.00 0.53 N ATOM 212 CA LEU A 14 -2.292 -3.674 4.210 1.00 0.59 C ATOM 213 C LEU A 14 -3.551 -4.172 4.945 1.00 0.75 C ATOM 214 O LEU A 14 -4.662 -3.812 4.601 1.00 1.02 O ATOM 215 CB LEU A 14 -2.140 -4.335 2.839 1.00 0.54 C ATOM 216 CG LEU A 14 -3.183 -3.958 1.792 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.088 -2.480 1.442 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.010 -4.800 0.559 1.00 1.06 C ATOM 0 H LEU A 14 -0.482 -4.616 4.669 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.416 -2.603 4.051 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.154 -4.086 2.446 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.166 -5.416 2.975 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.172 -4.146 2.210 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.841 -2.234 0.694 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.258 -1.882 2.338 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.097 -2.263 1.044 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.761 -4.521 -0.180 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.015 -4.638 0.145 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.129 -5.852 0.817 1.00 1.06 H new ATOM 230 N VAL A 15 -3.361 -5.018 5.929 1.00 0.71 N ATOM 231 CA VAL A 15 -4.456 -5.472 6.772 1.00 0.83 C ATOM 232 C VAL A 15 -4.728 -4.406 7.830 1.00 0.85 C ATOM 233 O VAL A 15 -5.856 -3.912 7.963 1.00 0.98 O ATOM 234 CB VAL A 15 -4.106 -6.828 7.461 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.174 -7.224 8.481 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.978 -7.932 6.421 1.00 0.91 C ATOM 0 H VAL A 15 -2.452 -5.412 6.172 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.342 -5.629 6.157 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.156 -6.697 7.979 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.901 -8.173 8.944 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.247 -6.454 9.249 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.136 -7.328 7.979 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.734 -8.872 6.916 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.921 -8.039 5.885 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.187 -7.677 5.715 1.00 0.91 H new ATOM 246 N GLU A 16 -3.679 -4.051 8.567 1.00 0.81 N ATOM 247 CA GLU A 16 -3.763 -3.077 9.655 1.00 0.87 C ATOM 248 C GLU A 16 -4.258 -1.693 9.175 1.00 0.89 C ATOM 249 O GLU A 16 -4.887 -0.955 9.933 1.00 1.05 O ATOM 250 CB GLU A 16 -2.404 -2.939 10.353 1.00 0.91 C ATOM 251 CG GLU A 16 -1.830 -4.257 10.837 1.00 1.00 C ATOM 252 CD GLU A 16 -0.538 -4.097 11.598 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.438 -3.592 11.028 1.00 1.90 O ATOM 254 OE2 GLU A 16 -0.475 -4.450 12.802 1.00 1.91 O ATOM 0 H GLU A 16 -2.743 -4.431 8.427 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.500 -3.454 10.364 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.697 -2.476 9.664 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.509 -2.265 11.203 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -2.562 -4.752 11.475 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.661 -4.909 9.980 1.00 1.00 H new ATOM 261 N SER A 17 -3.977 -1.348 7.936 1.00 0.82 N ATOM 262 CA SER A 17 -4.391 -0.059 7.400 1.00 0.93 C ATOM 263 C SER A 17 -5.857 -0.086 6.921 1.00 1.03 C ATOM 264 O SER A 17 -6.476 0.966 6.726 1.00 1.22 O ATOM 265 CB SER A 17 -3.457 0.361 6.273 1.00 0.96 C ATOM 266 OG SER A 17 -2.096 0.328 6.713 1.00 1.58 O ATOM 0 H SER A 17 -3.465 -1.937 7.279 1.00 0.82 H new ATOM 0 HA SER A 17 -4.329 0.677 8.201 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.586 -0.304 5.419 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.712 1.366 5.936 1.00 0.96 H new ATOM 0 HG SER A 17 -1.751 -0.586 6.641 1.00 1.58 H new ATOM 351 N ASP A 25 -10.121 -11.128 2.952 1.00 1.06 N ATOM 352 CA ASP A 25 -9.019 -12.001 3.286 1.00 1.14 C ATOM 353 C ASP A 25 -7.850 -11.850 2.333 1.00 0.91 C ATOM 354 O ASP A 25 -7.965 -12.086 1.121 1.00 1.11 O ATOM 355 CB ASP A 25 -9.438 -13.456 3.358 1.00 1.52 C ATOM 356 CG ASP A 25 -8.264 -14.329 3.714 1.00 1.99 C ATOM 357 OD1 ASP A 25 -7.918 -14.423 4.911 1.00 2.49 O ATOM 358 OD2 ASP A 25 -7.631 -14.903 2.801 1.00 2.41 O ATOM 0 HA ASP A 25 -8.692 -11.688 4.278 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.226 -13.577 4.101 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.853 -13.768 2.400 1.00 1.52 H new ATOM 363 N LEU A 26 -6.736 -11.466 2.891 1.00 0.84 N ATOM 364 CA LEU A 26 -5.488 -11.293 2.172 1.00 0.77 C ATOM 365 C LEU A 26 -4.530 -12.443 2.503 1.00 0.86 C ATOM 366 O LEU A 26 -3.327 -12.348 2.273 1.00 1.05 O ATOM 367 CB LEU A 26 -4.813 -9.950 2.578 1.00 0.94 C ATOM 368 CG LEU A 26 -5.427 -8.618 2.076 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.833 -8.376 2.599 1.00 1.22 C ATOM 370 CD2 LEU A 26 -4.527 -7.469 2.470 1.00 1.11 C ATOM 0 H LEU A 26 -6.661 -11.257 3.886 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.706 -11.285 1.104 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -4.787 -9.911 3.667 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.779 -9.985 2.236 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.504 -8.688 0.991 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -7.207 -7.428 2.212 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -7.487 -9.185 2.272 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.815 -8.341 3.688 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.958 -6.532 2.117 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.430 -7.438 3.555 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.543 -7.607 2.022 1.00 1.11 H new ATOM 382 N SER A 27 -5.063 -13.543 2.986 1.00 0.96 N ATOM 383 CA SER A 27 -4.224 -14.629 3.462 1.00 1.13 C ATOM 384 C SER A 27 -4.032 -15.700 2.382 1.00 1.20 C ATOM 385 O SER A 27 -3.458 -16.759 2.627 1.00 1.66 O ATOM 386 CB SER A 27 -4.852 -15.238 4.715 1.00 1.36 C ATOM 387 OG SER A 27 -5.349 -14.212 5.585 1.00 1.89 O ATOM 0 H SER A 27 -6.066 -13.712 3.061 1.00 0.96 H new ATOM 0 HA SER A 27 -3.239 -14.230 3.704 1.00 1.13 H new ATOM 0 HB2 SER A 27 -5.665 -15.906 4.432 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.112 -15.841 5.242 1.00 1.36 H new ATOM 0 HG SER A 27 -6.290 -14.033 5.376 1.00 1.89 H new ATOM 393 N GLY A 28 -4.509 -15.420 1.206 1.00 1.48 N ATOM 394 CA GLY A 28 -4.382 -16.356 0.113 1.00 1.67 C ATOM 395 C GLY A 28 -4.037 -15.639 -1.149 1.00 1.54 C ATOM 396 O GLY A 28 -4.684 -15.840 -2.178 1.00 2.30 O ATOM 0 H GLY A 28 -4.991 -14.552 0.972 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -3.611 -17.091 0.343 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -5.316 -16.903 -0.016 1.00 1.67 H new ATOM 400 N ASP A 29 -2.983 -14.828 -1.067 1.00 1.09 N ATOM 401 CA ASP A 29 -2.556 -13.913 -2.143 1.00 1.07 C ATOM 402 C ASP A 29 -3.501 -12.749 -2.298 1.00 0.87 C ATOM 403 O ASP A 29 -4.712 -12.899 -2.443 1.00 1.13 O ATOM 404 CB ASP A 29 -2.280 -14.603 -3.494 1.00 1.48 C ATOM 405 CG ASP A 29 -2.095 -13.625 -4.659 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.412 -12.590 -4.468 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.627 -13.872 -5.776 1.00 2.97 O ATOM 0 H ASP A 29 -2.387 -14.782 -0.240 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.591 -13.526 -1.816 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.385 -15.218 -3.402 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.106 -15.276 -3.724 1.00 1.48 H new ATOM 412 N PHE A 30 -2.937 -11.597 -2.229 1.00 0.67 N ATOM 413 CA PHE A 30 -3.653 -10.360 -2.322 1.00 0.57 C ATOM 414 C PHE A 30 -2.864 -9.421 -3.217 1.00 0.49 C ATOM 415 O PHE A 30 -3.263 -8.302 -3.445 1.00 0.48 O ATOM 416 CB PHE A 30 -3.756 -9.740 -0.912 1.00 0.59 C ATOM 417 CG PHE A 30 -2.403 -9.397 -0.316 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.614 -10.369 0.274 1.00 0.64 C ATOM 419 CD2 PHE A 30 -1.907 -8.107 -0.392 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.373 -10.056 0.770 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.665 -7.794 0.098 1.00 0.65 C ATOM 422 CZ PHE A 30 0.103 -8.767 0.678 1.00 0.73 C ATOM 0 H PHE A 30 -1.932 -11.477 -2.102 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.651 -10.524 -2.729 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.365 -8.837 -0.961 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.272 -10.437 -0.251 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.978 -11.383 0.345 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.509 -7.333 -0.845 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.231 -10.822 1.233 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.294 -6.782 0.026 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.082 -8.524 1.063 1.00 0.73 H new ATOM 432 N LEU A 31 -1.766 -9.913 -3.762 1.00 0.54 N ATOM 433 CA LEU A 31 -0.816 -9.065 -4.452 1.00 0.60 C ATOM 434 C LEU A 31 -1.356 -8.704 -5.830 1.00 0.63 C ATOM 435 O LEU A 31 -1.105 -7.616 -6.352 1.00 0.72 O ATOM 436 CB LEU A 31 0.523 -9.802 -4.570 1.00 0.75 C ATOM 437 CG LEU A 31 1.741 -8.948 -4.896 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.021 -7.974 -3.754 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.950 -9.828 -5.160 1.00 1.43 C ATOM 0 H LEU A 31 -1.511 -10.900 -3.739 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.664 -8.143 -3.891 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.711 -10.320 -3.630 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.425 -10.566 -5.341 1.00 0.75 H new ATOM 0 HG LEU A 31 1.535 -8.373 -5.799 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.894 -7.369 -3.998 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.158 -7.324 -3.610 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.212 -8.533 -2.838 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.812 -9.202 -5.391 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.164 -10.427 -4.275 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.743 -10.487 -6.003 1.00 1.43 H new ATOM 451 N ASP A 32 -2.122 -9.624 -6.383 1.00 0.66 N ATOM 452 CA ASP A 32 -2.749 -9.461 -7.699 1.00 0.83 C ATOM 453 C ASP A 32 -4.198 -8.980 -7.533 1.00 0.73 C ATOM 454 O ASP A 32 -4.905 -8.688 -8.500 1.00 0.96 O ATOM 455 CB ASP A 32 -2.717 -10.812 -8.431 1.00 1.10 C ATOM 456 CG ASP A 32 -3.280 -10.770 -9.837 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.559 -10.341 -10.755 1.00 2.33 O ATOM 458 OD2 ASP A 32 -4.438 -11.221 -10.049 1.00 2.26 O ATOM 0 H ASP A 32 -2.334 -10.516 -5.936 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.205 -8.717 -8.280 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -1.687 -11.165 -8.475 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -3.279 -11.542 -7.848 1.00 1.10 H new ATOM 463 N LEU A 33 -4.619 -8.849 -6.295 1.00 0.50 N ATOM 464 CA LEU A 33 -5.988 -8.481 -6.008 1.00 0.50 C ATOM 465 C LEU A 33 -6.134 -6.957 -6.170 1.00 0.50 C ATOM 466 O LEU A 33 -5.161 -6.229 -6.059 1.00 0.78 O ATOM 467 CB LEU A 33 -6.378 -8.979 -4.603 1.00 0.49 C ATOM 468 CG LEU A 33 -7.874 -9.061 -4.289 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.583 -9.927 -5.324 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.073 -9.659 -2.906 1.00 0.70 C ATOM 0 H LEU A 33 -4.034 -8.992 -5.471 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.676 -8.955 -6.708 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.947 -9.970 -4.462 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.913 -8.322 -3.869 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.296 -8.056 -4.318 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.646 -9.977 -5.089 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.450 -9.492 -6.315 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.160 -10.932 -5.309 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.139 -9.716 -2.684 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.642 -10.660 -2.877 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.581 -9.030 -2.164 1.00 0.70 H new ATOM 482 N ARG A 34 -7.323 -6.488 -6.454 1.00 0.34 N ATOM 483 CA ARG A 34 -7.519 -5.079 -6.792 1.00 0.37 C ATOM 484 C ARG A 34 -7.918 -4.274 -5.548 1.00 0.35 C ATOM 485 O ARG A 34 -8.585 -4.807 -4.651 1.00 0.40 O ATOM 486 CB ARG A 34 -8.608 -4.961 -7.880 1.00 0.45 C ATOM 487 CG ARG A 34 -8.414 -5.927 -9.060 1.00 0.60 C ATOM 488 CD ARG A 34 -7.085 -5.708 -9.766 1.00 1.01 C ATOM 489 NE ARG A 34 -6.773 -6.773 -10.740 1.00 1.74 N ATOM 490 CZ ARG A 34 -5.791 -6.708 -11.660 1.00 2.51 C ATOM 491 NH1 ARG A 34 -5.145 -5.568 -11.882 1.00 2.74 N ATOM 492 NH2 ARG A 34 -5.485 -7.775 -12.377 1.00 3.50 N ATOM 0 H ARG A 34 -8.174 -7.050 -6.461 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.583 -4.671 -7.172 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.582 -5.146 -7.427 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.621 -3.939 -8.258 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -8.468 -6.954 -8.700 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -9.228 -5.796 -9.773 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -7.106 -4.747 -10.280 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -6.289 -5.656 -9.024 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.342 -7.619 -10.714 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -5.391 -4.731 -11.353 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -4.403 -5.530 -12.581 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -5.992 -8.648 -12.234 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -4.741 -7.725 -13.073 1.00 3.50 H new ATOM 506 N PHE A 35 -7.528 -2.993 -5.485 1.00 0.36 N ATOM 507 CA PHE A 35 -7.899 -2.135 -4.337 1.00 0.39 C ATOM 508 C PHE A 35 -9.410 -1.975 -4.175 1.00 0.47 C ATOM 509 O PHE A 35 -9.910 -1.947 -3.050 1.00 0.54 O ATOM 510 CB PHE A 35 -7.202 -0.757 -4.349 1.00 0.41 C ATOM 511 CG PHE A 35 -5.759 -0.783 -3.912 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.404 -1.167 -2.638 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.756 -0.439 -4.801 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.080 -1.207 -2.257 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.432 -0.478 -4.428 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.118 -0.800 -3.064 1.00 0.47 C ATOM 0 H PHE A 35 -6.966 -2.529 -6.199 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.529 -2.673 -3.464 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.256 -0.345 -5.357 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.754 -0.079 -3.698 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.172 -1.440 -1.929 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.017 -0.135 -5.804 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.824 -1.580 -1.276 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.649 -0.272 -5.143 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.104 -0.710 -2.702 1.00 0.47 H new ATOM 526 N GLU A 36 -10.139 -1.914 -5.290 1.00 0.57 N ATOM 527 CA GLU A 36 -11.598 -1.795 -5.249 1.00 0.76 C ATOM 528 C GLU A 36 -12.230 -3.076 -4.699 1.00 0.74 C ATOM 529 O GLU A 36 -13.357 -3.067 -4.186 1.00 0.87 O ATOM 530 CB GLU A 36 -12.164 -1.500 -6.639 1.00 0.97 C ATOM 531 CG GLU A 36 -11.577 -0.269 -7.308 1.00 1.31 C ATOM 532 CD GLU A 36 -12.238 0.035 -8.633 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.077 -0.770 -9.594 1.00 2.06 O ATOM 534 OE2 GLU A 36 -12.907 1.083 -8.751 1.00 1.81 O ATOM 0 H GLU A 36 -9.745 -1.945 -6.230 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.842 -0.964 -4.587 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.990 -2.364 -7.280 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -13.244 -1.375 -6.559 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.686 0.589 -6.645 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.508 -0.418 -7.463 1.00 1.31 H new ATOM 541 N ASP A 37 -11.488 -4.165 -4.783 1.00 0.66 N ATOM 542 CA ASP A 37 -11.954 -5.461 -4.313 1.00 0.73 C ATOM 543 C ASP A 37 -11.756 -5.548 -2.807 1.00 0.73 C ATOM 544 O ASP A 37 -12.665 -5.926 -2.076 1.00 0.89 O ATOM 545 CB ASP A 37 -11.173 -6.584 -5.000 1.00 0.75 C ATOM 546 CG ASP A 37 -11.732 -7.972 -4.742 1.00 1.29 C ATOM 547 OD1 ASP A 37 -11.508 -8.533 -3.673 1.00 2.20 O ATOM 548 OD2 ASP A 37 -12.365 -8.536 -5.660 1.00 1.28 O ATOM 0 H ASP A 37 -10.547 -4.178 -5.178 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.012 -5.571 -4.553 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -11.163 -6.401 -6.075 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -10.137 -6.552 -4.662 1.00 0.75 H new ATOM 553 N ILE A 38 -10.572 -5.135 -2.343 1.00 0.63 N ATOM 554 CA ILE A 38 -10.225 -5.179 -0.912 1.00 0.68 C ATOM 555 C ILE A 38 -10.758 -3.984 -0.120 1.00 0.68 C ATOM 556 O ILE A 38 -10.310 -3.712 0.983 1.00 0.73 O ATOM 557 CB ILE A 38 -8.697 -5.341 -0.657 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.890 -4.252 -1.385 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.236 -6.728 -1.060 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.392 -4.335 -1.168 1.00 0.64 C ATOM 0 H ILE A 38 -9.832 -4.764 -2.939 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.727 -6.074 -0.545 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.517 -5.219 0.411 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.095 -4.318 -2.454 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.240 -3.274 -1.053 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.166 -6.824 -0.875 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.774 -7.474 -0.475 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.436 -6.884 -2.120 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.900 -3.531 -1.716 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.172 -4.237 -0.105 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.025 -5.297 -1.527 1.00 0.64 H new ATOM 572 N GLY A 39 -11.754 -3.327 -0.672 1.00 0.69 N ATOM 573 CA GLY A 39 -12.421 -2.229 0.002 1.00 0.77 C ATOM 574 C GLY A 39 -11.542 -1.021 0.280 1.00 0.65 C ATOM 575 O GLY A 39 -11.730 -0.337 1.290 1.00 0.74 O ATOM 0 H GLY A 39 -12.126 -3.536 -1.599 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.269 -1.911 -0.604 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.823 -2.593 0.947 1.00 0.77 H new ATOM 579 N TYR A 40 -10.581 -0.751 -0.574 1.00 0.52 N ATOM 580 CA TYR A 40 -9.785 0.430 -0.381 1.00 0.47 C ATOM 581 C TYR A 40 -10.396 1.639 -0.995 1.00 0.49 C ATOM 582 O TYR A 40 -10.674 1.688 -2.191 1.00 0.61 O ATOM 583 CB TYR A 40 -8.288 0.281 -0.707 1.00 0.46 C ATOM 584 CG TYR A 40 -7.512 -0.210 0.478 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.656 -1.502 0.963 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.673 0.650 1.150 1.00 0.61 C ATOM 587 CE1 TYR A 40 -6.968 -1.916 2.086 1.00 0.74 C ATOM 588 CE2 TYR A 40 -5.996 0.251 2.271 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.139 -1.026 2.737 1.00 0.81 C ATOM 590 OH TYR A 40 -5.473 -1.401 3.870 1.00 1.02 O ATOM 0 H TYR A 40 -10.339 -1.318 -1.387 1.00 0.52 H new ATOM 0 HA TYR A 40 -9.796 0.580 0.699 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.163 -0.414 -1.538 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.888 1.242 -1.032 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.314 -2.192 0.456 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.546 1.659 0.786 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.078 -2.926 2.451 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.349 0.945 2.787 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.301 -2.365 3.844 1.00 1.02 H new ATOM 600 N ASP A 41 -10.672 2.576 -0.140 1.00 0.48 N ATOM 601 CA ASP A 41 -11.240 3.844 -0.501 1.00 0.56 C ATOM 602 C ASP A 41 -10.079 4.841 -0.561 1.00 0.45 C ATOM 603 O ASP A 41 -8.922 4.447 -0.304 1.00 0.39 O ATOM 604 CB ASP A 41 -12.258 4.254 0.571 1.00 0.75 C ATOM 605 CG ASP A 41 -13.239 5.308 0.112 1.00 1.11 C ATOM 606 OD1 ASP A 41 -12.854 6.495 0.048 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.367 4.972 -0.236 1.00 1.20 O ATOM 0 H ASP A 41 -10.503 2.478 0.861 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.756 3.807 -1.460 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.811 3.371 0.889 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.722 4.626 1.444 1.00 0.75 H new ATOM 612 N SER A 42 -10.362 6.089 -0.834 1.00 0.57 N ATOM 613 CA SER A 42 -9.344 7.108 -1.008 1.00 0.62 C ATOM 614 C SER A 42 -8.447 7.267 0.212 1.00 0.53 C ATOM 615 O SER A 42 -7.245 6.974 0.149 1.00 0.54 O ATOM 616 CB SER A 42 -9.986 8.423 -1.302 1.00 0.83 C ATOM 617 OG SER A 42 -10.718 8.395 -2.557 1.00 1.24 O ATOM 0 H SER A 42 -11.315 6.436 -0.944 1.00 0.57 H new ATOM 0 HA SER A 42 -8.720 6.783 -1.841 1.00 0.62 H new ATOM 0 HB2 SER A 42 -10.665 8.686 -0.491 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.222 9.200 -1.343 1.00 0.83 H new ATOM 0 HG SER A 42 -11.127 9.271 -2.717 1.00 1.24 H new ATOM 622 N LEU A 43 -9.031 7.706 1.327 1.00 0.53 N ATOM 623 CA LEU A 43 -8.275 7.956 2.551 1.00 0.54 C ATOM 624 C LEU A 43 -7.569 6.719 3.053 1.00 0.45 C ATOM 625 O LEU A 43 -6.467 6.805 3.569 1.00 0.47 O ATOM 626 CB LEU A 43 -9.151 8.566 3.646 1.00 0.68 C ATOM 627 CG LEU A 43 -9.673 9.982 3.375 1.00 0.83 C ATOM 628 CD1 LEU A 43 -10.549 10.445 4.515 1.00 1.00 C ATOM 629 CD2 LEU A 43 -8.519 10.946 3.177 1.00 0.90 C ATOM 0 H LEU A 43 -10.030 7.896 1.406 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.507 8.685 2.292 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.006 7.909 3.808 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.580 8.582 4.574 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.268 9.961 2.462 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -10.912 11.452 4.309 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.397 9.768 4.621 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -9.971 10.450 5.439 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -8.909 11.946 2.986 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -7.901 10.963 4.075 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -7.917 10.623 2.328 1.00 0.90 H new ATOM 641 N ALA A 44 -8.173 5.565 2.823 1.00 0.44 N ATOM 642 CA ALA A 44 -7.600 4.300 3.247 1.00 0.41 C ATOM 643 C ALA A 44 -6.247 4.065 2.560 1.00 0.35 C ATOM 644 O ALA A 44 -5.287 3.610 3.187 1.00 0.38 O ATOM 645 CB ALA A 44 -8.566 3.163 2.959 1.00 0.43 C ATOM 0 H ALA A 44 -9.068 5.479 2.341 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.427 4.335 4.323 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.125 2.220 3.282 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.497 3.331 3.499 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.770 3.121 1.889 1.00 0.43 H new ATOM 651 N LEU A 45 -6.169 4.430 1.284 1.00 0.34 N ATOM 652 CA LEU A 45 -4.944 4.304 0.498 1.00 0.33 C ATOM 653 C LEU A 45 -3.885 5.258 1.109 1.00 0.32 C ATOM 654 O LEU A 45 -2.736 4.871 1.351 1.00 0.36 O ATOM 655 CB LEU A 45 -5.234 4.731 -0.979 1.00 0.48 C ATOM 656 CG LEU A 45 -4.247 4.304 -2.124 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.809 4.462 -1.768 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.487 2.909 -2.610 1.00 0.37 C ATOM 0 H LEU A 45 -6.954 4.822 0.764 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.584 3.275 0.511 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.220 4.348 -1.240 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.300 5.819 -0.996 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.469 5.001 -2.932 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.190 4.147 -2.608 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.604 5.507 -1.538 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.580 3.847 -0.898 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.775 2.671 -3.400 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.360 2.209 -1.784 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.502 2.829 -3.000 1.00 0.37 H new ATOM 670 N MET A 46 -4.308 6.488 1.388 1.00 0.37 N ATOM 671 CA MET A 46 -3.407 7.553 1.895 1.00 0.46 C ATOM 672 C MET A 46 -2.873 7.167 3.246 1.00 0.48 C ATOM 673 O MET A 46 -1.706 7.363 3.554 1.00 0.54 O ATOM 674 CB MET A 46 -4.158 8.877 2.045 1.00 0.59 C ATOM 675 CG MET A 46 -5.111 9.143 0.930 1.00 0.54 C ATOM 676 SD MET A 46 -5.808 10.802 0.942 1.00 0.89 S ATOM 677 CE MET A 46 -4.332 11.799 0.720 1.00 1.84 C ATOM 0 H MET A 46 -5.277 6.787 1.274 1.00 0.37 H new ATOM 0 HA MET A 46 -2.595 7.672 1.178 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.705 8.872 2.988 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.436 9.692 2.099 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.598 8.982 -0.018 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.924 8.418 0.980 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.605 12.763 0.290 1.00 1.84 H new ATOM 0 HE2 MET A 46 -3.850 11.956 1.685 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.643 11.285 0.050 1.00 1.84 H new ATOM 687 N GLU A 47 -3.752 6.642 4.037 1.00 0.49 N ATOM 688 CA GLU A 47 -3.464 6.154 5.355 1.00 0.55 C ATOM 689 C GLU A 47 -2.420 5.037 5.310 1.00 0.54 C ATOM 690 O GLU A 47 -1.440 5.068 6.066 1.00 0.71 O ATOM 691 CB GLU A 47 -4.772 5.693 5.961 1.00 0.58 C ATOM 692 CG GLU A 47 -5.279 6.577 7.089 1.00 0.82 C ATOM 693 CD GLU A 47 -5.428 8.022 6.692 1.00 1.48 C ATOM 694 OE1 GLU A 47 -4.439 8.768 6.732 1.00 2.31 O ATOM 695 OE2 GLU A 47 -6.547 8.432 6.296 1.00 1.84 O ATOM 0 H GLU A 47 -4.732 6.535 3.775 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.031 6.940 5.974 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.529 5.652 5.178 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.648 4.678 6.337 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -6.243 6.200 7.431 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -4.592 6.508 7.932 1.00 0.82 H new ATOM 702 N THR A 48 -2.623 4.093 4.396 1.00 0.42 N ATOM 703 CA THR A 48 -1.686 2.998 4.157 1.00 0.42 C ATOM 704 C THR A 48 -0.302 3.575 3.804 1.00 0.39 C ATOM 705 O THR A 48 0.709 3.257 4.453 1.00 0.41 O ATOM 706 CB THR A 48 -2.200 2.143 2.969 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.478 1.606 3.285 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.250 1.000 2.629 1.00 0.45 C ATOM 0 H THR A 48 -3.447 4.065 3.796 1.00 0.42 H new ATOM 0 HA THR A 48 -1.606 2.381 5.052 1.00 0.42 H new ATOM 0 HB THR A 48 -2.263 2.798 2.100 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.166 2.287 3.133 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.652 0.430 1.792 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.275 1.406 2.357 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.143 0.346 3.495 1.00 0.45 H new ATOM 716 N ALA A 49 -0.282 4.421 2.777 1.00 0.39 N ATOM 717 CA ALA A 49 0.932 5.042 2.287 1.00 0.40 C ATOM 718 C ALA A 49 1.657 5.795 3.399 1.00 0.42 C ATOM 719 O ALA A 49 2.837 5.569 3.622 1.00 0.41 O ATOM 720 CB ALA A 49 0.612 5.987 1.133 1.00 0.43 C ATOM 0 H ALA A 49 -1.119 4.693 2.261 1.00 0.39 H new ATOM 0 HA ALA A 49 1.593 4.252 1.929 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.532 6.447 0.774 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.146 5.427 0.322 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.071 6.763 1.477 1.00 0.43 H new ATOM 726 N ALA A 50 0.923 6.643 4.129 1.00 0.46 N ATOM 727 CA ALA A 50 1.490 7.478 5.204 1.00 0.51 C ATOM 728 C ALA A 50 2.160 6.645 6.295 1.00 0.49 C ATOM 729 O ALA A 50 3.198 7.041 6.849 1.00 0.49 O ATOM 730 CB ALA A 50 0.416 8.368 5.807 1.00 0.62 C ATOM 0 H ALA A 50 -0.080 6.772 3.994 1.00 0.46 H new ATOM 0 HA ALA A 50 2.262 8.100 4.752 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.851 8.978 6.599 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.005 9.017 5.034 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.379 7.749 6.222 1.00 0.62 H new ATOM 736 N ARG A 51 1.587 5.488 6.579 1.00 0.51 N ATOM 737 CA ARG A 51 2.123 4.575 7.579 1.00 0.54 C ATOM 738 C ARG A 51 3.482 4.010 7.119 1.00 0.50 C ATOM 739 O ARG A 51 4.370 3.736 7.931 1.00 0.61 O ATOM 740 CB ARG A 51 1.058 3.481 7.918 1.00 0.62 C ATOM 741 CG ARG A 51 1.476 2.367 8.892 1.00 0.87 C ATOM 742 CD ARG A 51 2.148 1.207 8.168 1.00 1.36 C ATOM 743 NE ARG A 51 2.585 0.124 9.079 1.00 2.18 N ATOM 744 CZ ARG A 51 1.802 -0.875 9.563 1.00 3.05 C ATOM 745 NH1 ARG A 51 0.481 -0.867 9.391 1.00 3.48 N ATOM 746 NH2 ARG A 51 2.343 -1.863 10.252 1.00 3.91 N ATOM 0 H ARG A 51 0.738 5.153 6.124 1.00 0.51 H new ATOM 0 HA ARG A 51 2.326 5.106 8.509 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.182 3.980 8.332 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.746 3.013 6.984 1.00 0.62 H new ATOM 0 HG2 ARG A 51 2.158 2.774 9.639 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.599 2.003 9.426 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.456 0.797 7.432 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.012 1.582 7.619 1.00 1.36 H new ATOM 0 HE ARG A 51 3.563 0.129 9.369 1.00 2.18 H new ATOM 0 HH11 ARG A 51 0.037 -0.100 8.887 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -0.086 -1.628 9.764 1.00 3.48 H new ATOM 0 HH21 ARG A 51 3.349 -1.876 10.421 1.00 3.91 H new ATOM 0 HH22 ARG A 51 1.755 -2.613 10.615 1.00 3.91 H new ATOM 760 N LEU A 52 3.643 3.877 5.827 1.00 0.41 N ATOM 761 CA LEU A 52 4.889 3.401 5.259 1.00 0.39 C ATOM 762 C LEU A 52 5.887 4.564 5.121 1.00 0.36 C ATOM 763 O LEU A 52 7.079 4.412 5.436 1.00 0.38 O ATOM 764 CB LEU A 52 4.634 2.717 3.906 1.00 0.36 C ATOM 765 CG LEU A 52 3.650 1.529 3.940 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.423 0.980 2.548 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.143 0.426 4.872 1.00 0.48 C ATOM 0 H LEU A 52 2.922 4.093 5.139 1.00 0.41 H new ATOM 0 HA LEU A 52 5.326 2.660 5.929 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.253 3.462 3.207 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.587 2.366 3.510 1.00 0.36 H new ATOM 0 HG LEU A 52 2.701 1.899 4.328 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.726 0.143 2.596 1.00 0.41 H new ATOM 0 HD12 LEU A 52 3.008 1.762 1.912 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.371 0.639 2.132 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.427 -0.396 4.873 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.111 0.064 4.527 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.243 0.821 5.883 1.00 0.48 H new ATOM 779 N GLU A 53 5.377 5.733 4.684 1.00 0.35 N ATOM 780 CA GLU A 53 6.181 6.950 4.487 1.00 0.37 C ATOM 781 C GLU A 53 6.938 7.319 5.741 1.00 0.41 C ATOM 782 O GLU A 53 8.160 7.399 5.731 1.00 0.45 O ATOM 783 CB GLU A 53 5.309 8.157 4.121 1.00 0.40 C ATOM 784 CG GLU A 53 4.502 8.051 2.851 1.00 0.44 C ATOM 785 CD GLU A 53 3.683 9.304 2.610 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.043 9.808 3.556 1.00 0.91 O ATOM 787 OE2 GLU A 53 3.659 9.808 1.471 1.00 0.65 O ATOM 0 H GLU A 53 4.390 5.857 4.457 1.00 0.35 H new ATOM 0 HA GLU A 53 6.869 6.721 3.674 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.621 8.342 4.946 1.00 0.40 H new ATOM 0 HB3 GLU A 53 5.955 9.031 4.041 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.170 7.883 2.006 1.00 0.44 H new ATOM 0 HG3 GLU A 53 3.840 7.187 2.910 1.00 0.44 H new ATOM 794 N SER A 54 6.204 7.484 6.813 1.00 0.45 N ATOM 795 CA SER A 54 6.746 7.980 8.061 1.00 0.54 C ATOM 796 C SER A 54 7.784 7.033 8.687 1.00 0.52 C ATOM 797 O SER A 54 8.784 7.477 9.242 1.00 0.62 O ATOM 798 CB SER A 54 5.594 8.262 9.015 1.00 0.69 C ATOM 799 OG SER A 54 4.731 7.125 9.097 1.00 1.38 O ATOM 0 H SER A 54 5.206 7.277 6.848 1.00 0.45 H new ATOM 0 HA SER A 54 7.290 8.902 7.856 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.982 8.505 10.004 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.032 9.130 8.671 1.00 0.69 H new ATOM 0 HG SER A 54 4.075 7.159 8.370 1.00 1.38 H new ATOM 805 N ARG A 55 7.562 5.739 8.567 1.00 0.53 N ATOM 806 CA ARG A 55 8.462 4.774 9.171 1.00 0.62 C ATOM 807 C ARG A 55 9.721 4.556 8.330 1.00 0.57 C ATOM 808 O ARG A 55 10.837 4.471 8.853 1.00 0.68 O ATOM 809 CB ARG A 55 7.743 3.441 9.430 1.00 0.78 C ATOM 810 CG ARG A 55 8.636 2.363 10.049 1.00 0.95 C ATOM 811 CD ARG A 55 7.860 1.099 10.375 1.00 1.19 C ATOM 812 NE ARG A 55 6.823 1.347 11.382 1.00 1.42 N ATOM 813 CZ ARG A 55 5.974 0.437 11.862 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.093 -0.837 11.531 1.00 1.97 N ATOM 815 NH2 ARG A 55 5.025 0.804 12.698 1.00 2.41 N ATOM 0 H ARG A 55 6.774 5.333 8.062 1.00 0.53 H new ATOM 0 HA ARG A 55 8.780 5.188 10.128 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.895 3.620 10.091 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.340 3.068 8.488 1.00 0.78 H new ATOM 0 HG2 ARG A 55 9.446 2.124 9.360 1.00 0.95 H new ATOM 0 HG3 ARG A 55 9.095 2.751 10.958 1.00 0.95 H new ATOM 0 HD2 ARG A 55 7.400 0.709 9.467 1.00 1.19 H new ATOM 0 HD3 ARG A 55 8.546 0.334 10.739 1.00 1.19 H new ATOM 0 HE ARG A 55 6.744 2.296 11.746 1.00 1.42 H new ATOM 0 HH11 ARG A 55 6.840 -1.133 10.902 1.00 1.97 H new ATOM 0 HH12 ARG A 55 5.438 -1.524 11.904 1.00 1.97 H new ATOM 0 HH21 ARG A 55 4.941 1.782 12.977 1.00 2.41 H new ATOM 0 HH22 ARG A 55 4.374 0.111 13.067 1.00 2.41 H new ATOM 829 N TYR A 56 9.559 4.490 7.036 1.00 0.49 N ATOM 830 CA TYR A 56 10.679 4.160 6.194 1.00 0.54 C ATOM 831 C TYR A 56 11.416 5.363 5.651 1.00 0.53 C ATOM 832 O TYR A 56 12.581 5.248 5.308 1.00 0.71 O ATOM 833 CB TYR A 56 10.285 3.164 5.111 1.00 0.57 C ATOM 834 CG TYR A 56 9.900 1.818 5.697 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.876 0.959 6.186 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.572 1.417 5.786 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.547 -0.260 6.747 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.235 0.198 6.344 1.00 0.82 C ATOM 839 CZ TYR A 56 9.231 -0.634 6.826 1.00 1.02 C ATOM 840 OH TYR A 56 8.897 -1.857 7.384 1.00 1.20 O ATOM 0 H TYR A 56 8.679 4.657 6.547 1.00 0.49 H new ATOM 0 HA TYR A 56 11.408 3.668 6.838 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.449 3.563 4.537 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.115 3.034 4.417 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.914 1.250 6.126 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.793 2.066 5.414 1.00 0.66 H new ATOM 0 HE1 TYR A 56 11.321 -0.913 7.121 1.00 1.09 H new ATOM 0 HE2 TYR A 56 7.200 -0.104 6.404 1.00 0.82 H new ATOM 0 HH TYR A 56 7.937 -1.876 7.580 1.00 1.20 H new ATOM 850 N GLY A 57 10.759 6.502 5.601 1.00 0.44 N ATOM 851 CA GLY A 57 11.410 7.706 5.117 1.00 0.45 C ATOM 852 C GLY A 57 11.149 7.936 3.647 1.00 0.45 C ATOM 853 O GLY A 57 12.070 8.212 2.873 1.00 0.60 O ATOM 0 H GLY A 57 9.787 6.622 5.885 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.055 8.565 5.687 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.484 7.632 5.288 1.00 0.45 H new ATOM 857 N VAL A 58 9.899 7.816 3.255 1.00 0.37 N ATOM 858 CA VAL A 58 9.520 7.994 1.858 1.00 0.39 C ATOM 859 C VAL A 58 8.351 8.971 1.738 1.00 0.40 C ATOM 860 O VAL A 58 7.898 9.511 2.746 1.00 0.42 O ATOM 861 CB VAL A 58 9.179 6.645 1.132 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.353 5.691 1.173 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.953 5.974 1.737 1.00 0.38 C ATOM 0 H VAL A 58 9.123 7.596 3.879 1.00 0.37 H new ATOM 0 HA VAL A 58 10.393 8.408 1.354 1.00 0.39 H new ATOM 0 HB VAL A 58 8.959 6.893 0.094 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.088 4.765 0.662 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.210 6.147 0.676 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.609 5.473 2.210 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.749 5.043 1.207 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.138 5.760 2.790 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.093 6.638 1.648 1.00 0.38 H new ATOM 873 N SER A 59 7.874 9.207 0.526 1.00 0.46 N ATOM 874 CA SER A 59 6.715 10.060 0.287 1.00 0.56 C ATOM 875 C SER A 59 6.033 9.657 -1.014 1.00 0.54 C ATOM 876 O SER A 59 6.690 9.532 -2.059 1.00 0.61 O ATOM 877 CB SER A 59 7.130 11.536 0.223 1.00 0.79 C ATOM 878 OG SER A 59 7.750 11.949 1.439 1.00 1.33 O ATOM 0 H SER A 59 8.279 8.813 -0.323 1.00 0.46 H new ATOM 0 HA SER A 59 6.017 9.933 1.115 1.00 0.56 H new ATOM 0 HB2 SER A 59 7.818 11.688 -0.609 1.00 0.79 H new ATOM 0 HB3 SER A 59 6.254 12.155 0.029 1.00 0.79 H new ATOM 0 HG SER A 59 8.006 12.892 1.372 1.00 1.33 H new ATOM 884 N ILE A 60 4.748 9.412 -0.952 1.00 0.48 N ATOM 885 CA ILE A 60 3.983 9.026 -2.115 1.00 0.46 C ATOM 886 C ILE A 60 2.910 10.082 -2.381 1.00 0.50 C ATOM 887 O ILE A 60 1.961 10.221 -1.601 1.00 0.58 O ATOM 888 CB ILE A 60 3.310 7.593 -1.997 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.344 6.455 -1.799 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.470 7.285 -3.228 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.989 6.387 -0.431 1.00 1.13 C ATOM 0 H ILE A 60 4.201 9.474 -0.094 1.00 0.48 H new ATOM 0 HA ILE A 60 4.685 8.961 -2.946 1.00 0.46 H new ATOM 0 HB ILE A 60 2.677 7.633 -1.110 1.00 0.44 H new ATOM 0 HG12 ILE A 60 3.852 5.503 -1.996 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.130 6.568 -2.546 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.019 6.298 -3.123 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.684 8.034 -3.329 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.104 7.302 -4.115 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.694 5.556 -0.402 1.00 1.13 H new ATOM 0 HD12 ILE A 60 5.518 7.319 -0.231 1.00 1.13 H new ATOM 0 HD13 ILE A 60 4.220 6.237 0.327 1.00 1.13 H new ATOM 903 N PRO A 61 3.080 10.873 -3.450 1.00 0.52 N ATOM 904 CA PRO A 61 2.121 11.919 -3.832 1.00 0.58 C ATOM 905 C PRO A 61 0.719 11.365 -4.162 1.00 0.52 C ATOM 906 O PRO A 61 0.567 10.175 -4.527 1.00 0.45 O ATOM 907 CB PRO A 61 2.759 12.550 -5.073 1.00 0.63 C ATOM 908 CG PRO A 61 4.202 12.204 -4.970 1.00 0.65 C ATOM 909 CD PRO A 61 4.237 10.840 -4.360 1.00 0.56 C ATOM 0 HA PRO A 61 1.950 12.622 -3.017 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.321 12.154 -5.989 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.610 13.630 -5.090 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.679 12.209 -5.950 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.736 12.925 -4.352 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.141 10.056 -5.111 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.169 10.657 -3.826 1.00 0.56 H new ATOM 917 N ASP A 62 -0.284 12.249 -4.054 1.00 0.64 N ATOM 918 CA ASP A 62 -1.717 11.940 -4.263 1.00 0.72 C ATOM 919 C ASP A 62 -1.929 11.224 -5.565 1.00 0.61 C ATOM 920 O ASP A 62 -2.490 10.130 -5.606 1.00 0.65 O ATOM 921 CB ASP A 62 -2.563 13.227 -4.318 1.00 1.00 C ATOM 922 CG ASP A 62 -2.518 14.076 -3.081 1.00 1.28 C ATOM 923 OD1 ASP A 62 -3.257 13.771 -2.111 1.00 1.97 O ATOM 924 OD2 ASP A 62 -1.732 15.021 -3.027 1.00 1.40 O ATOM 0 H ASP A 62 -0.122 13.227 -3.813 1.00 0.64 H new ATOM 0 HA ASP A 62 -2.023 11.316 -3.424 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.227 13.827 -5.164 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -3.600 12.953 -4.513 1.00 1.00 H new ATOM 929 N ASP A 63 -1.440 11.839 -6.623 1.00 0.57 N ATOM 930 CA ASP A 63 -1.595 11.346 -7.993 1.00 0.62 C ATOM 931 C ASP A 63 -1.010 9.968 -8.191 1.00 0.52 C ATOM 932 O ASP A 63 -1.490 9.213 -9.010 1.00 0.65 O ATOM 933 CB ASP A 63 -0.973 12.327 -8.992 1.00 0.78 C ATOM 934 CG ASP A 63 -1.728 13.623 -9.077 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.563 14.489 -8.196 1.00 1.87 O ATOM 936 OD2 ASP A 63 -2.532 13.796 -10.011 1.00 1.94 O ATOM 0 H ASP A 63 -0.914 12.711 -6.563 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.667 11.269 -8.175 1.00 0.62 H new ATOM 0 HB2 ASP A 63 0.058 12.530 -8.702 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.941 11.864 -9.978 1.00 0.78 H new ATOM 941 N VAL A 64 0.004 9.639 -7.421 1.00 0.42 N ATOM 942 CA VAL A 64 0.687 8.363 -7.543 1.00 0.39 C ATOM 943 C VAL A 64 -0.131 7.266 -6.834 1.00 0.33 C ATOM 944 O VAL A 64 -0.327 6.176 -7.369 1.00 0.37 O ATOM 945 CB VAL A 64 2.116 8.460 -6.946 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.885 7.174 -7.163 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.870 9.627 -7.562 1.00 0.56 C ATOM 0 H VAL A 64 0.380 10.246 -6.692 1.00 0.42 H new ATOM 0 HA VAL A 64 0.778 8.103 -8.598 1.00 0.39 H new ATOM 0 HB VAL A 64 2.020 8.626 -5.873 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.883 7.270 -6.735 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.360 6.350 -6.679 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.966 6.975 -8.232 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.870 9.681 -7.133 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.945 9.483 -8.640 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.336 10.555 -7.356 1.00 0.56 H new ATOM 957 N ALA A 65 -0.617 7.570 -5.635 1.00 0.35 N ATOM 958 CA ALA A 65 -1.456 6.671 -4.886 1.00 0.38 C ATOM 959 C ALA A 65 -2.749 6.437 -5.657 1.00 0.43 C ATOM 960 O ALA A 65 -3.211 5.308 -5.800 1.00 0.47 O ATOM 961 CB ALA A 65 -1.746 7.268 -3.520 1.00 0.44 C ATOM 0 H ALA A 65 -0.433 8.455 -5.162 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.951 5.715 -4.746 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.381 6.588 -2.953 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.809 7.422 -2.984 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.256 8.224 -3.641 1.00 0.44 H new ATOM 967 N GLY A 66 -3.277 7.509 -6.217 1.00 0.49 N ATOM 968 CA GLY A 66 -4.471 7.432 -7.028 1.00 0.59 C ATOM 969 C GLY A 66 -4.154 7.068 -8.476 1.00 0.53 C ATOM 970 O GLY A 66 -4.825 7.531 -9.407 1.00 0.69 O ATOM 0 H GLY A 66 -2.892 8.449 -6.122 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.148 6.689 -6.607 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -4.991 8.390 -7.000 1.00 0.59 H new ATOM 974 N ARG A 67 -3.099 6.297 -8.658 1.00 0.45 N ATOM 975 CA ARG A 67 -2.695 5.783 -9.938 1.00 0.45 C ATOM 976 C ARG A 67 -2.545 4.255 -9.859 1.00 0.39 C ATOM 977 O ARG A 67 -2.609 3.565 -10.876 1.00 0.51 O ATOM 978 CB ARG A 67 -1.362 6.434 -10.372 1.00 0.56 C ATOM 979 CG ARG A 67 -0.737 5.839 -11.623 1.00 1.08 C ATOM 980 CD ARG A 67 -1.647 5.972 -12.838 1.00 1.48 C ATOM 981 NE ARG A 67 -1.160 5.188 -13.989 1.00 2.15 N ATOM 982 CZ ARG A 67 -1.621 5.257 -15.239 1.00 2.93 C ATOM 983 NH1 ARG A 67 -2.517 6.173 -15.583 1.00 3.24 N ATOM 984 NH2 ARG A 67 -1.151 4.414 -16.149 1.00 3.83 N ATOM 0 H ARG A 67 -2.488 6.007 -7.895 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.457 6.024 -10.680 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.531 7.498 -10.539 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -0.649 6.349 -9.552 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.212 6.336 -11.825 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -0.515 4.786 -11.451 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.652 5.642 -12.575 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -1.721 7.022 -13.121 1.00 1.48 H new ATOM 0 HE ARG A 67 -0.399 4.532 -13.812 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -2.862 6.835 -14.888 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -2.861 6.215 -16.542 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.446 3.724 -15.889 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -1.495 4.456 -17.108 1.00 3.83 H new ATOM 998 N VAL A 68 -2.392 3.716 -8.661 1.00 0.35 N ATOM 999 CA VAL A 68 -2.148 2.290 -8.558 1.00 0.34 C ATOM 1000 C VAL A 68 -3.411 1.444 -8.696 1.00 0.39 C ATOM 1001 O VAL A 68 -4.513 1.985 -8.817 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.276 1.874 -7.341 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.104 2.472 -7.472 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.894 2.294 -6.022 1.00 0.36 C ATOM 0 H VAL A 68 -2.430 4.223 -7.777 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.537 2.063 -9.432 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.213 0.786 -7.341 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.711 2.177 -6.616 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.571 2.112 -8.389 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.028 3.559 -7.506 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.248 1.981 -5.202 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.007 3.378 -6.002 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.872 1.825 -5.913 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.263 0.141 -8.635 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.375 -0.764 -8.939 1.00 0.49 C ATOM 1016 C ASP A 69 -4.394 -1.899 -7.954 1.00 0.40 C ATOM 1017 O ASP A 69 -5.397 -2.163 -7.278 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.163 -1.351 -10.334 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.356 -2.096 -10.856 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -5.467 -3.304 -10.587 1.00 0.86 O ATOM 1021 OD2 ASP A 69 -6.211 -1.493 -11.483 1.00 1.17 O ATOM 0 H ASP A 69 -2.393 -0.326 -8.380 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.313 -0.211 -8.886 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.917 -0.545 -11.025 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.306 -2.024 -10.310 1.00 0.68 H new ATOM 1026 N THR A 70 -3.285 -2.573 -7.888 1.00 0.38 N ATOM 1027 CA THR A 70 -3.100 -3.673 -7.014 1.00 0.35 C ATOM 1028 C THR A 70 -2.117 -3.249 -5.924 1.00 0.33 C ATOM 1029 O THR A 70 -1.394 -2.235 -6.091 1.00 0.33 O ATOM 1030 CB THR A 70 -2.494 -4.839 -7.815 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.241 -4.419 -8.353 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.399 -5.229 -8.960 1.00 0.47 C ATOM 0 H THR A 70 -2.467 -2.361 -8.459 1.00 0.38 H new ATOM 0 HA THR A 70 -4.047 -3.982 -6.571 1.00 0.35 H new ATOM 0 HB THR A 70 -2.370 -5.695 -7.152 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.292 -4.409 -9.332 1.00 0.48 H new ATOM 0 HG21 THR A 70 -2.951 -6.055 -9.513 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.368 -5.538 -8.569 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.531 -4.376 -9.626 1.00 0.47 H new ATOM 1040 N PRO A 71 -2.051 -3.977 -4.804 1.00 0.34 N ATOM 1041 CA PRO A 71 -1.121 -3.677 -3.724 1.00 0.33 C ATOM 1042 C PRO A 71 0.334 -3.781 -4.172 1.00 0.29 C ATOM 1043 O PRO A 71 1.204 -3.134 -3.610 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.421 -4.747 -2.680 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.803 -5.178 -2.988 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.898 -5.129 -4.469 1.00 0.39 C ATOM 0 HA PRO A 71 -1.244 -2.658 -3.358 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.720 -5.579 -2.749 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.344 -4.349 -1.668 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.996 -6.183 -2.613 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.535 -4.518 -2.523 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.534 -6.048 -4.930 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.925 -4.989 -4.805 1.00 0.39 H new ATOM 1054 N ARG A 72 0.588 -4.566 -5.221 1.00 0.31 N ATOM 1055 CA ARG A 72 1.943 -4.744 -5.703 1.00 0.31 C ATOM 1056 C ARG A 72 2.442 -3.493 -6.397 1.00 0.29 C ATOM 1057 O ARG A 72 3.621 -3.206 -6.355 1.00 0.31 O ATOM 1058 CB ARG A 72 2.101 -5.981 -6.605 1.00 0.36 C ATOM 1059 CG ARG A 72 1.458 -5.906 -7.978 1.00 0.48 C ATOM 1060 CD ARG A 72 1.644 -7.204 -8.737 1.00 0.58 C ATOM 1061 NE ARG A 72 3.057 -7.606 -8.814 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.479 -8.856 -9.036 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.610 -9.799 -9.428 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.773 -9.151 -8.921 1.00 2.47 N ATOM 0 H ARG A 72 -0.123 -5.079 -5.742 1.00 0.31 H new ATOM 0 HA ARG A 72 2.564 -4.923 -4.825 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.166 -6.173 -6.737 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.685 -6.841 -6.080 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.395 -5.691 -7.874 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.896 -5.084 -8.544 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.070 -7.993 -8.251 1.00 0.58 H new ATOM 0 HD3 ARG A 72 1.244 -7.094 -9.745 1.00 0.58 H new ATOM 0 HE ARG A 72 3.764 -6.881 -8.689 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.626 -9.564 -9.557 1.00 1.35 H new ATOM 0 HH12 ARG A 72 2.933 -10.752 -9.597 1.00 1.35 H new ATOM 0 HH21 ARG A 72 5.441 -8.424 -8.664 1.00 2.47 H new ATOM 0 HH22 ARG A 72 5.096 -10.104 -9.090 1.00 2.47 H new ATOM 1078 N GLU A 73 1.528 -2.731 -7.002 1.00 0.28 N ATOM 1079 CA GLU A 73 1.906 -1.484 -7.652 1.00 0.28 C ATOM 1080 C GLU A 73 2.329 -0.495 -6.575 1.00 0.25 C ATOM 1081 O GLU A 73 3.331 0.194 -6.702 1.00 0.25 O ATOM 1082 CB GLU A 73 0.737 -0.892 -8.451 1.00 0.33 C ATOM 1083 CG GLU A 73 0.067 -1.842 -9.427 1.00 0.45 C ATOM 1084 CD GLU A 73 1.016 -2.473 -10.408 1.00 1.15 C ATOM 1085 OE1 GLU A 73 1.309 -1.855 -11.427 1.00 1.24 O ATOM 1086 OE2 GLU A 73 1.508 -3.588 -10.156 1.00 2.06 O ATOM 0 H GLU A 73 0.534 -2.955 -7.053 1.00 0.28 H new ATOM 0 HA GLU A 73 2.722 -1.681 -8.347 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.014 -0.530 -7.749 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.099 -0.026 -9.004 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.437 -2.629 -8.866 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.702 -1.300 -9.977 1.00 0.45 H new ATOM 1093 N LEU A 74 1.555 -0.482 -5.489 1.00 0.27 N ATOM 1094 CA LEU A 74 1.808 0.387 -4.337 1.00 0.27 C ATOM 1095 C LEU A 74 3.141 -0.003 -3.727 1.00 0.25 C ATOM 1096 O LEU A 74 3.996 0.833 -3.477 1.00 0.25 O ATOM 1097 CB LEU A 74 0.682 0.178 -3.295 1.00 0.30 C ATOM 1098 CG LEU A 74 0.523 1.222 -2.137 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.639 1.136 -1.107 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.430 2.633 -2.698 1.00 1.00 C ATOM 0 H LEU A 74 0.732 -1.075 -5.382 1.00 0.27 H new ATOM 0 HA LEU A 74 1.830 1.433 -4.644 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.264 0.137 -3.835 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.831 -0.801 -2.839 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.405 0.976 -1.621 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.475 1.883 -0.330 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.645 0.142 -0.660 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.597 1.322 -1.592 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.320 3.344 -1.879 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.337 2.862 -3.258 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.433 2.705 -3.360 1.00 1.00 H new ATOM 1112 N LEU A 75 3.292 -1.288 -3.510 1.00 0.29 N ATOM 1113 CA LEU A 75 4.461 -1.861 -2.926 1.00 0.34 C ATOM 1114 C LEU A 75 5.699 -1.573 -3.760 1.00 0.29 C ATOM 1115 O LEU A 75 6.759 -1.285 -3.215 1.00 0.30 O ATOM 1116 CB LEU A 75 4.255 -3.351 -2.815 1.00 0.49 C ATOM 1117 CG LEU A 75 5.429 -4.144 -2.321 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.731 -3.861 -0.849 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.209 -5.601 -2.589 1.00 0.90 C ATOM 0 H LEU A 75 2.577 -1.977 -3.745 1.00 0.29 H new ATOM 0 HA LEU A 75 4.618 -1.419 -1.942 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.413 -3.532 -2.147 1.00 0.49 H new ATOM 0 HB3 LEU A 75 3.972 -3.732 -3.796 1.00 0.49 H new ATOM 0 HG LEU A 75 6.316 -3.830 -2.872 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.588 -4.456 -0.532 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.957 -2.802 -0.721 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.864 -4.123 -0.243 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.065 -6.171 -2.228 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.308 -5.934 -2.073 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.093 -5.760 -3.661 1.00 0.90 H new ATOM 1131 N ASP A 76 5.542 -1.616 -5.071 1.00 0.29 N ATOM 1132 CA ASP A 76 6.642 -1.382 -5.999 1.00 0.33 C ATOM 1133 C ASP A 76 7.109 0.055 -5.886 1.00 0.29 C ATOM 1134 O ASP A 76 8.312 0.331 -5.915 1.00 0.33 O ATOM 1135 CB ASP A 76 6.224 -1.702 -7.438 1.00 0.40 C ATOM 1136 CG ASP A 76 7.363 -1.561 -8.415 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.198 -2.475 -8.513 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.434 -0.522 -9.118 1.00 0.63 O ATOM 0 H ASP A 76 4.650 -1.814 -5.525 1.00 0.29 H new ATOM 0 HA ASP A 76 7.466 -2.046 -5.738 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.835 -2.719 -7.482 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.412 -1.038 -7.733 1.00 0.40 H new ATOM 1143 N LEU A 77 6.149 0.966 -5.710 1.00 0.25 N ATOM 1144 CA LEU A 77 6.446 2.368 -5.482 1.00 0.25 C ATOM 1145 C LEU A 77 7.276 2.514 -4.219 1.00 0.26 C ATOM 1146 O LEU A 77 8.278 3.250 -4.191 1.00 0.32 O ATOM 1147 CB LEU A 77 5.162 3.160 -5.294 1.00 0.26 C ATOM 1148 CG LEU A 77 4.175 3.164 -6.445 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.916 3.888 -6.026 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.788 3.820 -7.680 1.00 0.38 C ATOM 0 H LEU A 77 5.153 0.747 -5.723 1.00 0.25 H new ATOM 0 HA LEU A 77 6.991 2.746 -6.347 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.652 2.772 -4.413 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.431 4.194 -5.077 1.00 0.26 H new ATOM 0 HG LEU A 77 3.926 2.135 -6.703 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.206 3.891 -6.853 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.473 3.381 -5.169 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.160 4.915 -5.753 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.063 3.812 -8.494 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.061 4.849 -7.447 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.678 3.268 -7.982 1.00 0.38 H new ATOM 1162 N ILE A 78 6.854 1.801 -3.173 1.00 0.25 N ATOM 1163 CA ILE A 78 7.540 1.826 -1.897 1.00 0.29 C ATOM 1164 C ILE A 78 8.945 1.270 -2.074 1.00 0.34 C ATOM 1165 O ILE A 78 9.898 1.914 -1.711 1.00 0.40 O ATOM 1166 CB ILE A 78 6.807 0.993 -0.807 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.337 1.411 -0.669 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.522 1.149 0.533 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.125 2.860 -0.278 1.00 0.46 C ATOM 0 H ILE A 78 6.032 1.197 -3.194 1.00 0.25 H new ATOM 0 HA ILE A 78 7.564 2.863 -1.562 1.00 0.29 H new ATOM 0 HB ILE A 78 6.828 -0.053 -1.114 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.830 1.227 -1.616 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.861 0.774 0.076 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.004 0.563 1.292 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.549 0.796 0.441 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.524 2.199 0.824 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.057 3.064 -0.204 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.598 3.050 0.685 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.567 3.509 -1.034 1.00 0.46 H new ATOM 1181 N ASN A 79 9.042 0.058 -2.630 1.00 0.37 N ATOM 1182 CA ASN A 79 10.331 -0.618 -2.895 1.00 0.46 C ATOM 1183 C ASN A 79 11.311 0.302 -3.614 1.00 0.40 C ATOM 1184 O ASN A 79 12.460 0.462 -3.175 1.00 0.45 O ATOM 1185 CB ASN A 79 10.142 -1.908 -3.726 1.00 0.62 C ATOM 1186 CG ASN A 79 9.468 -3.068 -2.990 1.00 0.84 C ATOM 1187 OD1 ASN A 79 8.778 -3.881 -3.600 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.695 -3.187 -1.705 1.00 0.56 N ATOM 0 H ASN A 79 8.229 -0.490 -2.913 1.00 0.37 H new ATOM 0 HA ASN A 79 10.742 -0.883 -1.921 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.551 -1.668 -4.610 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.119 -2.241 -4.077 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.295 -3.969 -1.187 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.272 -2.498 -1.223 1.00 0.56 H new ATOM 1195 N GLY A 80 10.838 0.940 -4.682 1.00 0.38 N ATOM 1196 CA GLY A 80 11.670 1.847 -5.453 1.00 0.41 C ATOM 1197 C GLY A 80 12.126 3.060 -4.651 1.00 0.45 C ATOM 1198 O GLY A 80 13.295 3.442 -4.701 1.00 0.55 O ATOM 0 H GLY A 80 9.884 0.843 -5.029 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.545 1.309 -5.817 1.00 0.41 H new ATOM 0 HA3 GLY A 80 11.116 2.184 -6.329 1.00 0.41 H new ATOM 1202 N ALA A 81 11.221 3.642 -3.893 1.00 0.44 N ATOM 1203 CA ALA A 81 11.527 4.823 -3.101 1.00 0.51 C ATOM 1204 C ALA A 81 12.388 4.478 -1.887 1.00 0.54 C ATOM 1205 O ALA A 81 13.263 5.260 -1.481 1.00 0.69 O ATOM 1206 CB ALA A 81 10.245 5.522 -2.666 1.00 0.52 C ATOM 0 H ALA A 81 10.258 3.316 -3.806 1.00 0.44 H new ATOM 0 HA ALA A 81 12.101 5.503 -3.730 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.494 6.403 -2.075 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.678 5.824 -3.547 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.644 4.839 -2.065 1.00 0.52 H new ATOM 1212 N LEU A 82 12.168 3.292 -1.337 1.00 0.44 N ATOM 1213 CA LEU A 82 12.861 2.813 -0.171 1.00 0.50 C ATOM 1214 C LEU A 82 14.340 2.563 -0.468 1.00 0.60 C ATOM 1215 O LEU A 82 15.159 2.542 0.431 1.00 0.70 O ATOM 1216 CB LEU A 82 12.164 1.550 0.355 1.00 0.48 C ATOM 1217 CG LEU A 82 12.768 0.906 1.589 1.00 0.58 C ATOM 1218 CD1 LEU A 82 12.806 1.886 2.752 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.006 -0.346 1.974 1.00 0.66 C ATOM 0 H LEU A 82 11.486 2.629 -1.705 1.00 0.44 H new ATOM 0 HA LEU A 82 12.824 3.578 0.605 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.126 1.800 0.574 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.152 0.809 -0.445 1.00 0.48 H new ATOM 0 HG LEU A 82 13.793 0.622 1.349 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.243 1.399 3.624 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.409 2.752 2.479 1.00 0.60 H new ATOM 0 HD13 LEU A 82 11.792 2.210 2.988 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.458 -0.789 2.861 1.00 0.66 H new ATOM 0 HD22 LEU A 82 10.968 -0.090 2.186 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.043 -1.061 1.152 1.00 0.66 H new ATOM 1231 N ALA A 83 14.683 2.426 -1.745 1.00 0.64 N ATOM 1232 CA ALA A 83 16.077 2.241 -2.154 1.00 0.79 C ATOM 1233 C ALA A 83 16.933 3.465 -1.766 1.00 0.95 C ATOM 1234 O ALA A 83 18.154 3.375 -1.651 1.00 1.13 O ATOM 1235 CB ALA A 83 16.165 1.967 -3.652 1.00 0.86 C ATOM 0 H ALA A 83 14.017 2.439 -2.517 1.00 0.64 H new ATOM 0 HA ALA A 83 16.475 1.375 -1.625 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.209 1.832 -3.937 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.604 1.063 -3.890 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.745 2.810 -4.201 1.00 0.86 H new ATOM 1241 N GLU A 84 16.275 4.599 -1.548 1.00 0.95 N ATOM 1242 CA GLU A 84 16.922 5.817 -1.129 1.00 1.17 C ATOM 1243 C GLU A 84 16.945 5.932 0.397 1.00 1.25 C ATOM 1244 O GLU A 84 17.661 6.765 0.955 1.00 1.52 O ATOM 1245 CB GLU A 84 16.156 7.001 -1.692 1.00 1.23 C ATOM 1246 CG GLU A 84 16.234 7.173 -3.196 1.00 1.40 C ATOM 1247 CD GLU A 84 17.628 7.486 -3.657 1.00 1.80 C ATOM 1248 OE1 GLU A 84 18.121 8.594 -3.376 1.00 2.17 O ATOM 1249 OE2 GLU A 84 18.246 6.652 -4.328 1.00 2.47 O ATOM 0 H GLU A 84 15.265 4.689 -1.661 1.00 0.95 H new ATOM 0 HA GLU A 84 17.948 5.806 -1.496 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.108 6.901 -1.409 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.528 7.910 -1.220 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.888 6.262 -3.683 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.562 7.974 -3.504 1.00 1.40 H new