USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 84:sc= 0.931 USER MOD Set 1.2: A 48 THR OG1 : rot 74:sc= 0.174 USER MOD Single : A 6 THR OG1 : rot 129:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 169:sc= -0.858 USER MOD Single : A 40 TYR OH : rot -178:sc= -0.41 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 46 MET CE :methyl -111:sc= -0.757 (180deg=-0.966) USER MOD Single : A 54 SER OG : rot 81:sc= 1.01 USER MOD Single : A 56 TYR OH : rot 11:sc= 0.112 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -44:sc=-0.00434 USER MOD Single : A 79 ASN : amide:sc= -0.84 X(o=-0.84,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.272 -8.387 1.676 1.00 0.86 N ATOM 45 CA LEU A 4 -9.255 -7.687 2.413 1.00 0.72 C ATOM 46 C LEU A 4 -7.907 -8.307 2.177 1.00 0.67 C ATOM 47 O LEU A 4 -7.604 -9.376 2.711 1.00 0.83 O ATOM 48 CB LEU A 4 -9.567 -7.627 3.930 1.00 0.71 C ATOM 49 CG LEU A 4 -10.671 -6.648 4.407 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.045 -6.994 3.856 1.00 0.80 C ATOM 51 CD2 LEU A 4 -10.709 -6.594 5.927 1.00 1.75 C ATOM 0 HA LEU A 4 -9.241 -6.661 2.045 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -9.847 -8.630 4.253 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -8.645 -7.370 4.451 1.00 0.71 H new ATOM 0 HG LEU A 4 -10.412 -5.665 4.014 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -12.776 -6.274 4.224 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.019 -6.960 2.767 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -12.326 -7.996 4.182 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -11.489 -5.903 6.247 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -10.921 -7.588 6.321 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -9.745 -6.253 6.303 1.00 1.75 H new ATOM 63 N LEU A 5 -7.140 -7.680 1.312 1.00 0.55 N ATOM 64 CA LEU A 5 -5.786 -8.103 1.057 1.00 0.51 C ATOM 65 C LEU A 5 -4.977 -8.021 2.333 1.00 0.46 C ATOM 66 O LEU A 5 -5.060 -7.029 3.086 1.00 0.50 O ATOM 67 CB LEU A 5 -5.080 -7.280 -0.056 1.00 0.53 C ATOM 68 CG LEU A 5 -4.749 -5.786 0.212 1.00 0.62 C ATOM 69 CD1 LEU A 5 -3.746 -5.291 -0.804 1.00 0.66 C ATOM 70 CD2 LEU A 5 -5.987 -4.899 0.149 1.00 0.95 C ATOM 0 H LEU A 5 -7.437 -6.868 0.770 1.00 0.55 H new ATOM 0 HA LEU A 5 -5.844 -9.131 0.701 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.146 -7.786 -0.298 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -5.707 -7.324 -0.947 1.00 0.53 H new ATOM 0 HG LEU A 5 -4.338 -5.727 1.220 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -3.519 -4.243 -0.610 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -2.832 -5.880 -0.730 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.163 -5.392 -1.806 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -5.704 -3.865 0.343 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.437 -4.972 -0.841 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -6.707 -5.225 0.900 1.00 0.95 H new ATOM 82 N THR A 6 -4.250 -9.048 2.598 1.00 0.47 N ATOM 83 CA THR A 6 -3.409 -9.092 3.738 1.00 0.49 C ATOM 84 C THR A 6 -2.035 -8.504 3.404 1.00 0.40 C ATOM 85 O THR A 6 -1.819 -7.995 2.283 1.00 0.38 O ATOM 86 CB THR A 6 -3.289 -10.527 4.281 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.901 -11.420 3.210 1.00 0.82 O ATOM 88 CG2 THR A 6 -4.614 -10.984 4.885 1.00 0.93 C ATOM 0 H THR A 6 -4.223 -9.890 2.022 1.00 0.47 H new ATOM 0 HA THR A 6 -3.857 -8.484 4.524 1.00 0.49 H new ATOM 0 HB THR A 6 -2.529 -10.545 5.062 1.00 0.70 H new ATOM 0 HG1 THR A 6 -2.123 -11.947 3.489 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.510 -12.001 5.264 1.00 0.93 H new ATOM 0 HG22 THR A 6 -4.890 -10.319 5.703 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.390 -10.959 4.120 1.00 0.93 H new ATOM 96 N THR A 7 -1.101 -8.612 4.314 1.00 0.44 N ATOM 97 CA THR A 7 0.203 -8.060 4.120 1.00 0.42 C ATOM 98 C THR A 7 0.956 -8.873 3.069 1.00 0.37 C ATOM 99 O THR A 7 1.805 -8.347 2.348 1.00 0.39 O ATOM 100 CB THR A 7 0.978 -8.080 5.431 1.00 0.50 C ATOM 101 OG1 THR A 7 0.092 -7.726 6.499 1.00 0.58 O ATOM 102 CG2 THR A 7 2.093 -7.064 5.378 1.00 0.54 C ATOM 0 H THR A 7 -1.229 -9.086 5.208 1.00 0.44 H new ATOM 0 HA THR A 7 0.104 -7.029 3.779 1.00 0.42 H new ATOM 0 HB THR A 7 1.393 -9.075 5.591 1.00 0.50 H new ATOM 0 HG1 THR A 7 0.527 -7.906 7.358 1.00 0.58 H new ATOM 0 HG21 THR A 7 2.646 -7.081 6.317 1.00 0.54 H new ATOM 0 HG22 THR A 7 2.767 -7.306 4.556 1.00 0.54 H new ATOM 0 HG23 THR A 7 1.673 -6.070 5.222 1.00 0.54 H new ATOM 110 N ASP A 8 0.575 -10.145 2.958 1.00 0.41 N ATOM 111 CA ASP A 8 1.168 -11.097 2.007 1.00 0.46 C ATOM 112 C ASP A 8 0.992 -10.578 0.596 1.00 0.42 C ATOM 113 O ASP A 8 1.893 -10.654 -0.242 1.00 0.47 O ATOM 114 CB ASP A 8 0.472 -12.468 2.101 1.00 0.62 C ATOM 115 CG ASP A 8 0.365 -13.007 3.505 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.341 -13.596 4.020 1.00 1.98 O ATOM 117 OD2 ASP A 8 -0.716 -12.840 4.122 1.00 2.01 O ATOM 0 H ASP A 8 -0.163 -10.553 3.531 1.00 0.41 H new ATOM 0 HA ASP A 8 2.225 -11.206 2.251 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.529 -12.386 1.677 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.019 -13.185 1.489 1.00 0.62 H new ATOM 122 N ASP A 9 -0.166 -10.017 0.354 1.00 0.41 N ATOM 123 CA ASP A 9 -0.505 -9.500 -0.952 1.00 0.46 C ATOM 124 C ASP A 9 0.068 -8.105 -1.127 1.00 0.40 C ATOM 125 O ASP A 9 0.580 -7.762 -2.194 1.00 0.46 O ATOM 126 CB ASP A 9 -2.017 -9.488 -1.148 1.00 0.54 C ATOM 127 CG ASP A 9 -2.407 -9.102 -2.548 1.00 0.98 C ATOM 128 OD1 ASP A 9 -2.234 -9.946 -3.465 1.00 1.21 O ATOM 129 OD2 ASP A 9 -2.920 -7.995 -2.757 1.00 1.83 O ATOM 0 H ASP A 9 -0.900 -9.905 1.053 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.070 -10.152 -1.709 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.419 -10.475 -0.920 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.467 -8.790 -0.442 1.00 0.54 H new ATOM 134 N LEU A 10 0.036 -7.321 -0.044 1.00 0.36 N ATOM 135 CA LEU A 10 0.585 -5.962 -0.040 1.00 0.35 C ATOM 136 C LEU A 10 2.066 -5.972 -0.427 1.00 0.33 C ATOM 137 O LEU A 10 2.520 -5.105 -1.177 1.00 0.36 O ATOM 138 CB LEU A 10 0.415 -5.307 1.338 1.00 0.37 C ATOM 139 CG LEU A 10 0.879 -3.848 1.450 1.00 0.41 C ATOM 140 CD1 LEU A 10 0.040 -2.937 0.564 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.841 -3.378 2.894 1.00 0.48 C ATOM 0 H LEU A 10 -0.368 -7.608 0.848 1.00 0.36 H new ATOM 0 HA LEU A 10 0.032 -5.380 -0.777 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -0.638 -5.355 1.614 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.964 -5.899 2.070 1.00 0.37 H new ATOM 0 HG LEU A 10 1.911 -3.798 1.102 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.391 -1.910 0.663 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.133 -3.254 -0.475 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.005 -2.995 0.869 1.00 0.51 H new ATOM 0 HD21 LEU A 10 1.174 -2.342 2.948 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.178 -3.452 3.274 1.00 0.48 H new ATOM 0 HD23 LEU A 10 1.500 -4.003 3.497 1.00 0.48 H new ATOM 153 N ARG A 11 2.805 -6.974 0.088 1.00 0.33 N ATOM 154 CA ARG A 11 4.236 -7.156 -0.222 1.00 0.37 C ATOM 155 C ARG A 11 4.450 -7.211 -1.732 1.00 0.39 C ATOM 156 O ARG A 11 5.350 -6.570 -2.260 1.00 0.45 O ATOM 157 CB ARG A 11 4.779 -8.461 0.393 1.00 0.45 C ATOM 158 CG ARG A 11 4.798 -8.521 1.906 1.00 0.72 C ATOM 159 CD ARG A 11 5.178 -9.913 2.394 1.00 0.63 C ATOM 160 NE ARG A 11 5.121 -10.036 3.863 1.00 1.12 N ATOM 161 CZ ARG A 11 4.390 -10.958 4.528 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.757 -11.916 3.859 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.346 -10.950 5.854 1.00 2.27 N ATOM 0 H ARG A 11 2.430 -7.675 0.726 1.00 0.33 H new ATOM 0 HA ARG A 11 4.770 -6.306 0.204 1.00 0.37 H new ATOM 0 HB2 ARG A 11 4.178 -9.292 0.023 1.00 0.45 H new ATOM 0 HB3 ARG A 11 5.795 -8.616 0.030 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.508 -7.790 2.293 1.00 0.72 H new ATOM 0 HG3 ARG A 11 3.817 -8.250 2.296 1.00 0.72 H new ATOM 0 HD2 ARG A 11 4.508 -10.646 1.946 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.185 -10.151 2.052 1.00 0.63 H new ATOM 0 HE ARG A 11 5.672 -9.379 4.416 1.00 1.12 H new ATOM 0 HH11 ARG A 11 3.822 -11.956 2.842 1.00 1.47 H new ATOM 0 HH12 ARG A 11 3.206 -12.611 4.363 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.866 -10.245 6.377 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.792 -11.648 6.350 1.00 2.27 H new ATOM 177 N ARG A 12 3.567 -7.934 -2.410 1.00 0.40 N ATOM 178 CA ARG A 12 3.657 -8.140 -3.846 1.00 0.48 C ATOM 179 C ARG A 12 3.492 -6.826 -4.577 1.00 0.47 C ATOM 180 O ARG A 12 4.418 -6.365 -5.231 1.00 0.50 O ATOM 181 CB ARG A 12 2.585 -9.121 -4.322 1.00 0.56 C ATOM 182 CG ARG A 12 2.646 -10.483 -3.671 1.00 0.94 C ATOM 183 CD ARG A 12 1.523 -11.369 -4.173 1.00 1.18 C ATOM 184 NE ARG A 12 1.567 -12.704 -3.564 1.00 1.76 N ATOM 185 CZ ARG A 12 1.044 -13.813 -4.110 1.00 2.29 C ATOM 186 NH1 ARG A 12 0.429 -13.759 -5.298 1.00 2.31 N ATOM 187 NH2 ARG A 12 1.146 -14.968 -3.463 1.00 3.30 N ATOM 0 H ARG A 12 2.767 -8.394 -1.976 1.00 0.40 H new ATOM 0 HA ARG A 12 4.641 -8.556 -4.064 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.603 -8.686 -4.133 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.677 -9.244 -5.401 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.607 -10.950 -3.884 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.576 -10.377 -2.588 1.00 0.94 H new ATOM 0 HD2 ARG A 12 0.564 -10.900 -3.952 1.00 1.18 H new ATOM 0 HD3 ARG A 12 1.590 -11.462 -5.257 1.00 1.18 H new ATOM 0 HE ARG A 12 2.029 -12.796 -2.659 1.00 1.76 H new ATOM 0 HH11 ARG A 12 0.356 -12.871 -5.794 1.00 2.31 H new ATOM 0 HH12 ARG A 12 0.034 -14.606 -5.707 1.00 2.31 H new ATOM 0 HH21 ARG A 12 1.618 -15.007 -2.560 1.00 3.30 H new ATOM 0 HH22 ARG A 12 0.752 -15.817 -3.869 1.00 3.30 H new ATOM 201 N ALA A 13 2.337 -6.193 -4.383 1.00 0.47 N ATOM 202 CA ALA A 13 1.985 -4.947 -5.068 1.00 0.53 C ATOM 203 C ALA A 13 3.017 -3.848 -4.832 1.00 0.46 C ATOM 204 O ALA A 13 3.324 -3.053 -5.740 1.00 0.48 O ATOM 205 CB ALA A 13 0.618 -4.480 -4.622 1.00 0.63 C ATOM 0 H ALA A 13 1.616 -6.529 -3.745 1.00 0.47 H new ATOM 0 HA ALA A 13 1.971 -5.155 -6.138 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.364 -3.553 -5.136 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -0.123 -5.242 -4.862 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.626 -4.307 -3.546 1.00 0.63 H new ATOM 211 N LEU A 14 3.555 -3.817 -3.627 1.00 0.42 N ATOM 212 CA LEU A 14 4.563 -2.848 -3.244 1.00 0.39 C ATOM 213 C LEU A 14 5.836 -3.065 -4.094 1.00 0.40 C ATOM 214 O LEU A 14 6.287 -2.157 -4.813 1.00 0.46 O ATOM 215 CB LEU A 14 4.864 -3.012 -1.741 1.00 0.45 C ATOM 216 CG LEU A 14 5.680 -1.914 -1.052 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.913 -0.593 -1.030 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.051 -2.338 0.360 1.00 1.00 C ATOM 0 H LEU A 14 3.303 -4.467 -2.883 1.00 0.42 H new ATOM 0 HA LEU A 14 4.205 -1.834 -3.422 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.913 -3.101 -1.217 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.392 -3.956 -1.606 1.00 0.45 H new ATOM 0 HG LEU A 14 6.596 -1.762 -1.623 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.515 0.169 -0.535 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.699 -0.280 -2.052 1.00 0.44 H new ATOM 0 HD13 LEU A 14 3.977 -0.725 -0.487 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.631 -1.548 0.837 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.143 -2.520 0.936 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.645 -3.251 0.321 1.00 1.00 H new ATOM 230 N VAL A 15 6.339 -4.302 -4.094 1.00 0.44 N ATOM 231 CA VAL A 15 7.562 -4.643 -4.823 1.00 0.53 C ATOM 232 C VAL A 15 7.330 -4.618 -6.347 1.00 0.55 C ATOM 233 O VAL A 15 8.256 -4.393 -7.120 1.00 0.64 O ATOM 234 CB VAL A 15 8.157 -6.021 -4.372 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.462 -6.349 -5.102 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.395 -6.026 -2.875 1.00 0.64 C ATOM 0 H VAL A 15 5.917 -5.085 -3.596 1.00 0.44 H new ATOM 0 HA VAL A 15 8.298 -3.878 -4.577 1.00 0.53 H new ATOM 0 HB VAL A 15 7.427 -6.788 -4.630 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.839 -7.312 -4.758 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.277 -6.393 -6.175 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.200 -5.575 -4.893 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.808 -6.989 -2.576 1.00 0.64 H new ATOM 0 HG22 VAL A 15 9.097 -5.233 -2.616 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.451 -5.859 -2.356 1.00 0.64 H new ATOM 246 N GLU A 16 6.096 -4.816 -6.772 1.00 0.59 N ATOM 247 CA GLU A 16 5.746 -4.735 -8.192 1.00 0.69 C ATOM 248 C GLU A 16 5.849 -3.304 -8.694 1.00 0.65 C ATOM 249 O GLU A 16 6.166 -3.064 -9.857 1.00 0.77 O ATOM 250 CB GLU A 16 4.343 -5.282 -8.465 1.00 0.89 C ATOM 251 CG GLU A 16 4.205 -6.781 -8.279 1.00 1.11 C ATOM 252 CD GLU A 16 2.801 -7.262 -8.535 1.00 1.54 C ATOM 253 OE1 GLU A 16 2.393 -7.334 -9.709 1.00 1.95 O ATOM 254 OE2 GLU A 16 2.088 -7.605 -7.578 1.00 2.18 O ATOM 0 H GLU A 16 5.312 -5.035 -6.158 1.00 0.59 H new ATOM 0 HA GLU A 16 6.461 -5.355 -8.732 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.636 -4.780 -7.804 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.060 -5.028 -9.487 1.00 0.89 H new ATOM 0 HG2 GLU A 16 4.891 -7.293 -8.954 1.00 1.11 H new ATOM 0 HG3 GLU A 16 4.498 -7.047 -7.264 1.00 1.11 H new ATOM 261 N SER A 17 5.611 -2.362 -7.812 1.00 0.59 N ATOM 262 CA SER A 17 5.658 -0.963 -8.166 1.00 0.64 C ATOM 263 C SER A 17 7.101 -0.455 -8.170 1.00 0.74 C ATOM 264 O SER A 17 7.505 0.322 -9.047 1.00 1.04 O ATOM 265 CB SER A 17 4.817 -0.176 -7.181 1.00 0.68 C ATOM 266 OG SER A 17 3.495 -0.691 -7.133 1.00 1.27 O ATOM 0 H SER A 17 5.381 -2.542 -6.835 1.00 0.59 H new ATOM 0 HA SER A 17 5.257 -0.831 -9.171 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.268 -0.223 -6.190 1.00 0.68 H new ATOM 0 HB3 SER A 17 4.794 0.874 -7.471 1.00 0.68 H new ATOM 0 HG SER A 17 3.462 -1.449 -6.513 1.00 1.27 H new ATOM 272 N ALA A 18 7.877 -0.908 -7.197 1.00 0.70 N ATOM 273 CA ALA A 18 9.271 -0.527 -7.101 1.00 0.87 C ATOM 274 C ALA A 18 10.100 -1.280 -8.140 1.00 1.05 C ATOM 275 O ALA A 18 11.070 -0.756 -8.694 1.00 1.57 O ATOM 276 CB ALA A 18 9.787 -0.787 -5.703 1.00 0.95 C ATOM 0 H ALA A 18 7.561 -1.541 -6.463 1.00 0.70 H new ATOM 0 HA ALA A 18 9.362 0.540 -7.305 1.00 0.87 H new ATOM 0 HB1 ALA A 18 10.836 -0.497 -5.643 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.207 -0.204 -4.987 1.00 0.95 H new ATOM 0 HB3 ALA A 18 9.690 -1.848 -5.471 1.00 0.95 H new ATOM 400 N ASP A 29 6.823 -8.136 9.148 1.00 0.90 N ATOM 401 CA ASP A 29 5.944 -7.006 9.340 1.00 0.83 C ATOM 402 C ASP A 29 6.689 -5.737 9.130 1.00 0.79 C ATOM 403 O ASP A 29 7.753 -5.517 9.702 1.00 1.33 O ATOM 404 CB ASP A 29 5.317 -6.983 10.735 1.00 1.20 C ATOM 405 CG ASP A 29 4.443 -8.165 11.018 1.00 1.95 C ATOM 406 OD1 ASP A 29 3.267 -8.168 10.615 1.00 2.68 O ATOM 407 OD2 ASP A 29 4.908 -9.105 11.692 1.00 2.44 O ATOM 0 HA ASP A 29 5.142 -7.105 8.609 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.111 -6.942 11.481 1.00 1.20 H new ATOM 0 HB3 ASP A 29 4.729 -6.072 10.845 1.00 1.20 H new ATOM 412 N PHE A 30 6.123 -4.907 8.339 1.00 0.42 N ATOM 413 CA PHE A 30 6.667 -3.637 7.996 1.00 0.36 C ATOM 414 C PHE A 30 5.545 -2.636 8.021 1.00 0.32 C ATOM 415 O PHE A 30 5.653 -1.551 7.492 1.00 0.35 O ATOM 416 CB PHE A 30 7.271 -3.718 6.595 1.00 0.37 C ATOM 417 CG PHE A 30 6.297 -4.208 5.535 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.502 -3.324 4.823 1.00 0.38 C ATOM 419 CD2 PHE A 30 6.190 -5.559 5.256 1.00 0.40 C ATOM 420 CE1 PHE A 30 4.626 -3.775 3.859 1.00 0.42 C ATOM 421 CE2 PHE A 30 5.322 -6.015 4.294 1.00 0.46 C ATOM 422 CZ PHE A 30 4.538 -5.122 3.591 1.00 0.46 C ATOM 0 H PHE A 30 5.227 -5.097 7.889 1.00 0.42 H new ATOM 0 HA PHE A 30 7.447 -3.340 8.697 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.638 -2.732 6.310 1.00 0.37 H new ATOM 0 HB3 PHE A 30 8.133 -4.384 6.619 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.570 -2.266 5.027 1.00 0.38 H new ATOM 0 HD2 PHE A 30 6.798 -6.265 5.802 1.00 0.40 H new ATOM 0 HE1 PHE A 30 4.011 -3.073 3.316 1.00 0.42 H new ATOM 0 HE2 PHE A 30 5.253 -7.073 4.087 1.00 0.46 H new ATOM 0 HZ PHE A 30 3.857 -5.480 2.833 1.00 0.46 H new ATOM 432 N LEU A 31 4.478 -3.012 8.670 1.00 0.35 N ATOM 433 CA LEU A 31 3.287 -2.207 8.693 1.00 0.36 C ATOM 434 C LEU A 31 3.417 -1.113 9.720 1.00 0.39 C ATOM 435 O LEU A 31 2.912 -0.017 9.527 1.00 0.46 O ATOM 436 CB LEU A 31 2.078 -3.079 8.972 1.00 0.40 C ATOM 437 CG LEU A 31 1.831 -4.182 7.952 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.686 -5.050 8.388 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.555 -3.588 6.578 1.00 0.38 C ATOM 0 H LEU A 31 4.409 -3.883 9.197 1.00 0.35 H new ATOM 0 HA LEU A 31 3.152 -1.738 7.718 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.196 -3.534 9.955 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.194 -2.444 9.019 1.00 0.40 H new ATOM 0 HG LEU A 31 2.728 -4.798 7.886 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.522 -5.834 7.649 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.919 -5.503 9.352 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.215 -4.444 8.481 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.381 -4.392 5.862 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.673 -2.949 6.628 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.413 -2.997 6.258 1.00 0.38 H new ATOM 451 N ASP A 32 4.100 -1.418 10.809 1.00 0.43 N ATOM 452 CA ASP A 32 4.368 -0.425 11.837 1.00 0.52 C ATOM 453 C ASP A 32 5.688 0.244 11.550 1.00 0.50 C ATOM 454 O ASP A 32 6.072 1.221 12.180 1.00 0.66 O ATOM 455 CB ASP A 32 4.324 -1.020 13.244 1.00 0.69 C ATOM 456 CG ASP A 32 2.929 -1.453 13.641 1.00 1.46 C ATOM 457 OD1 ASP A 32 2.137 -0.599 14.112 1.00 1.95 O ATOM 458 OD2 ASP A 32 2.598 -2.652 13.474 1.00 2.20 O ATOM 0 H ASP A 32 4.479 -2.344 11.005 1.00 0.43 H new ATOM 0 HA ASP A 32 3.577 0.325 11.809 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.996 -1.876 13.295 1.00 0.69 H new ATOM 0 HB3 ASP A 32 4.691 -0.284 13.959 1.00 0.69 H new ATOM 463 N LEU A 33 6.387 -0.318 10.605 1.00 0.42 N ATOM 464 CA LEU A 33 7.557 0.291 10.038 1.00 0.50 C ATOM 465 C LEU A 33 7.061 1.397 9.131 1.00 0.45 C ATOM 466 O LEU A 33 5.995 1.282 8.583 1.00 0.57 O ATOM 467 CB LEU A 33 8.352 -0.751 9.230 1.00 0.66 C ATOM 468 CG LEU A 33 9.179 -1.761 10.022 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.883 -2.714 9.077 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.200 -1.046 10.873 1.00 1.18 C ATOM 0 H LEU A 33 6.157 -1.226 10.201 1.00 0.42 H new ATOM 0 HA LEU A 33 8.220 0.683 10.809 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.649 -1.304 8.607 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.023 -0.217 8.557 1.00 0.66 H new ATOM 0 HG LEU A 33 8.509 -2.327 10.669 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.470 -3.430 9.653 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.143 -3.248 8.480 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.543 -2.151 8.417 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.783 -1.777 11.433 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.864 -0.465 10.233 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.691 -0.379 11.568 1.00 1.18 H new ATOM 482 N ARG A 34 7.770 2.469 9.015 1.00 0.43 N ATOM 483 CA ARG A 34 7.301 3.541 8.160 1.00 0.42 C ATOM 484 C ARG A 34 7.827 3.378 6.745 1.00 0.36 C ATOM 485 O ARG A 34 8.664 2.509 6.480 1.00 0.45 O ATOM 486 CB ARG A 34 7.651 4.914 8.720 1.00 0.58 C ATOM 487 CG ARG A 34 6.752 5.426 9.850 1.00 0.77 C ATOM 488 CD ARG A 34 6.859 4.621 11.139 1.00 1.08 C ATOM 489 NE ARG A 34 6.081 5.243 12.221 1.00 1.82 N ATOM 490 CZ ARG A 34 5.839 4.696 13.422 1.00 2.41 C ATOM 491 NH1 ARG A 34 6.136 3.436 13.659 1.00 2.43 N ATOM 492 NH2 ARG A 34 5.225 5.391 14.354 1.00 3.44 N ATOM 0 H ARG A 34 8.660 2.638 9.484 1.00 0.43 H new ATOM 0 HA ARG A 34 6.213 3.476 8.129 1.00 0.42 H new ATOM 0 HB2 ARG A 34 8.678 4.885 9.084 1.00 0.58 H new ATOM 0 HB3 ARG A 34 7.622 5.636 7.904 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.006 6.465 10.060 1.00 0.77 H new ATOM 0 HG3 ARG A 34 5.716 5.413 9.511 1.00 0.77 H new ATOM 0 HD2 ARG A 34 6.501 3.606 10.968 1.00 1.08 H new ATOM 0 HD3 ARG A 34 7.905 4.544 11.437 1.00 1.08 H new ATOM 0 HE ARG A 34 5.692 6.169 12.043 1.00 1.82 H new ATOM 0 HH11 ARG A 34 6.555 2.864 12.926 1.00 2.43 H new ATOM 0 HH12 ARG A 34 5.947 3.031 14.576 1.00 2.43 H new ATOM 0 HH21 ARG A 34 4.931 6.349 14.165 1.00 3.44 H new ATOM 0 HH22 ARG A 34 5.043 4.972 15.266 1.00 3.44 H new ATOM 506 N PHE A 35 7.363 4.224 5.842 1.00 0.33 N ATOM 507 CA PHE A 35 7.751 4.150 4.440 1.00 0.33 C ATOM 508 C PHE A 35 9.211 4.528 4.279 1.00 0.38 C ATOM 509 O PHE A 35 9.920 4.006 3.411 1.00 0.43 O ATOM 510 CB PHE A 35 6.867 5.050 3.578 1.00 0.34 C ATOM 511 CG PHE A 35 5.416 4.666 3.608 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.979 3.498 3.001 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.487 5.465 4.261 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.648 3.140 3.041 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.155 5.106 4.301 1.00 0.48 C ATOM 516 CZ PHE A 35 2.729 3.969 3.632 1.00 0.51 C ATOM 0 H PHE A 35 6.710 4.978 6.056 1.00 0.33 H new ATOM 0 HA PHE A 35 7.615 3.123 4.102 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.970 6.081 3.918 1.00 0.34 H new ATOM 0 HB3 PHE A 35 7.223 5.017 2.548 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.688 2.862 2.492 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.810 6.376 4.742 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.328 2.205 2.606 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.447 5.708 4.851 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.676 3.737 3.576 1.00 0.51 H new ATOM 526 N GLU A 36 9.649 5.423 5.133 1.00 0.48 N ATOM 527 CA GLU A 36 11.019 5.858 5.181 1.00 0.62 C ATOM 528 C GLU A 36 11.893 4.692 5.645 1.00 0.63 C ATOM 529 O GLU A 36 12.991 4.468 5.121 1.00 0.72 O ATOM 530 CB GLU A 36 11.191 7.047 6.159 1.00 0.83 C ATOM 531 CG GLU A 36 10.167 8.181 6.010 1.00 1.40 C ATOM 532 CD GLU A 36 8.881 7.955 6.803 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.079 7.065 6.452 1.00 2.73 O ATOM 534 OE2 GLU A 36 8.645 8.693 7.782 1.00 1.89 O ATOM 0 H GLU A 36 9.051 5.875 5.824 1.00 0.48 H new ATOM 0 HA GLU A 36 11.317 6.186 4.185 1.00 0.62 H new ATOM 0 HB2 GLU A 36 11.139 6.666 7.179 1.00 0.83 H new ATOM 0 HB3 GLU A 36 12.189 7.463 6.025 1.00 0.83 H new ATOM 0 HG2 GLU A 36 10.624 9.116 6.334 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.917 8.297 4.955 1.00 1.40 H new ATOM 541 N ASP A 37 11.351 3.915 6.582 1.00 0.61 N ATOM 542 CA ASP A 37 12.049 2.776 7.179 1.00 0.70 C ATOM 543 C ASP A 37 12.230 1.661 6.183 1.00 0.69 C ATOM 544 O ASP A 37 13.219 0.934 6.224 1.00 0.82 O ATOM 545 CB ASP A 37 11.312 2.230 8.413 1.00 0.77 C ATOM 546 CG ASP A 37 11.282 3.179 9.573 1.00 0.98 C ATOM 547 OD1 ASP A 37 12.355 3.554 10.078 1.00 1.27 O ATOM 548 OD2 ASP A 37 10.189 3.600 9.985 1.00 1.36 O ATOM 0 H ASP A 37 10.411 4.058 6.950 1.00 0.61 H new ATOM 0 HA ASP A 37 13.026 3.146 7.491 1.00 0.70 H new ATOM 0 HB2 ASP A 37 10.288 1.983 8.132 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.789 1.302 8.728 1.00 0.77 H new ATOM 553 N ILE A 38 11.279 1.517 5.287 1.00 0.59 N ATOM 554 CA ILE A 38 11.362 0.475 4.279 1.00 0.63 C ATOM 555 C ILE A 38 12.051 0.960 2.998 1.00 0.63 C ATOM 556 O ILE A 38 12.109 0.238 2.012 1.00 0.66 O ATOM 557 CB ILE A 38 9.992 -0.176 3.944 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.020 0.881 3.411 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.422 -0.881 5.177 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.651 0.357 3.030 1.00 0.54 C ATOM 0 H ILE A 38 10.445 2.101 5.232 1.00 0.59 H new ATOM 0 HA ILE A 38 11.980 -0.301 4.730 1.00 0.63 H new ATOM 0 HB ILE A 38 10.137 -0.925 3.166 1.00 0.59 H new ATOM 0 HG12 ILE A 38 8.898 1.656 4.168 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.467 1.356 2.538 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.462 -1.332 4.927 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.114 -1.657 5.504 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.284 -0.156 5.979 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.036 1.179 2.664 1.00 0.54 H new ATOM 0 HD12 ILE A 38 7.754 -0.395 2.248 1.00 0.54 H new ATOM 0 HD13 ILE A 38 7.177 -0.091 3.903 1.00 0.54 H new ATOM 572 N GLY A 39 12.619 2.160 3.056 1.00 0.63 N ATOM 573 CA GLY A 39 13.352 2.712 1.925 1.00 0.68 C ATOM 574 C GLY A 39 12.478 3.015 0.715 1.00 0.59 C ATOM 575 O GLY A 39 12.883 2.786 -0.418 1.00 0.70 O ATOM 0 H GLY A 39 12.585 2.768 3.874 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.851 3.629 2.240 1.00 0.68 H new ATOM 0 HA3 GLY A 39 14.132 2.009 1.631 1.00 0.68 H new ATOM 579 N TYR A 40 11.292 3.520 0.948 1.00 0.45 N ATOM 580 CA TYR A 40 10.398 3.857 -0.140 1.00 0.45 C ATOM 581 C TYR A 40 10.222 5.336 -0.307 1.00 0.47 C ATOM 582 O TYR A 40 10.406 6.120 0.635 1.00 0.62 O ATOM 583 CB TYR A 40 9.023 3.184 -0.002 1.00 0.42 C ATOM 584 CG TYR A 40 8.931 1.832 -0.658 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.648 0.740 -0.191 1.00 0.53 C ATOM 586 CD2 TYR A 40 8.127 1.661 -1.771 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.562 -0.487 -0.816 1.00 0.60 C ATOM 588 CE2 TYR A 40 8.032 0.449 -2.406 1.00 0.68 C ATOM 589 CZ TYR A 40 8.756 -0.632 -1.924 1.00 0.67 C ATOM 590 OH TYR A 40 8.675 -1.854 -2.552 1.00 0.78 O ATOM 0 H TYR A 40 10.920 3.708 1.879 1.00 0.45 H new ATOM 0 HA TYR A 40 10.882 3.469 -1.036 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.787 3.079 1.057 1.00 0.42 H new ATOM 0 HB3 TYR A 40 8.266 3.838 -0.434 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.283 0.852 0.675 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.562 2.500 -2.148 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.123 -1.329 -0.439 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.399 0.337 -3.274 1.00 0.68 H new ATOM 0 HH TYR A 40 8.089 -1.782 -3.334 1.00 0.78 H new ATOM 600 N ASP A 41 9.925 5.720 -1.521 1.00 0.55 N ATOM 601 CA ASP A 41 9.559 7.075 -1.836 1.00 0.69 C ATOM 602 C ASP A 41 8.102 7.085 -2.130 1.00 0.85 C ATOM 603 O ASP A 41 7.491 6.032 -2.372 1.00 1.62 O ATOM 604 CB ASP A 41 10.293 7.652 -3.054 1.00 0.82 C ATOM 605 CG ASP A 41 11.770 7.899 -2.851 1.00 0.99 C ATOM 606 OD1 ASP A 41 12.551 6.947 -2.787 1.00 1.32 O ATOM 607 OD2 ASP A 41 12.165 9.082 -2.765 1.00 1.27 O ATOM 0 H ASP A 41 9.931 5.094 -2.326 1.00 0.55 H new ATOM 0 HA ASP A 41 9.833 7.694 -0.981 1.00 0.69 H new ATOM 0 HB2 ASP A 41 10.166 6.968 -3.893 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.818 8.592 -3.334 1.00 0.82 H new ATOM 612 N SER A 42 7.580 8.236 -2.209 1.00 0.50 N ATOM 613 CA SER A 42 6.179 8.470 -2.390 1.00 0.53 C ATOM 614 C SER A 42 5.759 8.136 -3.821 1.00 0.51 C ATOM 615 O SER A 42 4.668 7.626 -4.070 1.00 0.48 O ATOM 616 CB SER A 42 5.970 9.923 -2.131 1.00 0.69 C ATOM 617 OG SER A 42 6.816 10.660 -3.066 1.00 1.05 O ATOM 0 H SER A 42 8.127 9.095 -2.149 1.00 0.50 H new ATOM 0 HA SER A 42 5.586 7.846 -1.721 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.922 10.190 -2.269 1.00 0.69 H new ATOM 0 HB3 SER A 42 6.230 10.171 -1.102 1.00 0.69 H new ATOM 0 HG SER A 42 6.700 11.623 -2.923 1.00 1.05 H new ATOM 622 N LEU A 43 6.666 8.416 -4.744 1.00 0.57 N ATOM 623 CA LEU A 43 6.469 8.198 -6.163 1.00 0.62 C ATOM 624 C LEU A 43 6.110 6.741 -6.456 1.00 0.56 C ATOM 625 O LEU A 43 5.187 6.460 -7.218 1.00 0.58 O ATOM 626 CB LEU A 43 7.736 8.600 -6.922 1.00 0.74 C ATOM 627 CG LEU A 43 7.664 8.514 -8.440 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.591 9.446 -8.966 1.00 1.40 C ATOM 629 CD2 LEU A 43 9.012 8.844 -9.052 1.00 1.19 C ATOM 0 H LEU A 43 7.579 8.810 -4.519 1.00 0.57 H new ATOM 0 HA LEU A 43 5.635 8.816 -6.497 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.989 9.624 -6.648 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.555 7.967 -6.581 1.00 0.74 H new ATOM 0 HG LEU A 43 7.403 7.494 -8.723 1.00 0.86 H new ATOM 0 HD11 LEU A 43 6.549 9.376 -10.053 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.626 9.163 -8.546 1.00 1.40 H new ATOM 0 HD13 LEU A 43 6.826 10.471 -8.677 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.944 8.778 -10.138 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.303 9.855 -8.767 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.758 8.136 -8.691 1.00 1.19 H new ATOM 641 N ALA A 44 6.825 5.829 -5.815 1.00 0.54 N ATOM 642 CA ALA A 44 6.594 4.407 -5.997 1.00 0.54 C ATOM 643 C ALA A 44 5.384 3.975 -5.193 1.00 0.47 C ATOM 644 O ALA A 44 4.634 3.087 -5.595 1.00 0.53 O ATOM 645 CB ALA A 44 7.821 3.613 -5.573 1.00 0.59 C ATOM 0 H ALA A 44 7.575 6.052 -5.160 1.00 0.54 H new ATOM 0 HA ALA A 44 6.405 4.212 -7.053 1.00 0.54 H new ATOM 0 HB1 ALA A 44 7.633 2.549 -5.715 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.676 3.914 -6.178 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.034 3.806 -4.522 1.00 0.59 H new ATOM 651 N LEU A 45 5.188 4.653 -4.083 1.00 0.42 N ATOM 652 CA LEU A 45 4.116 4.373 -3.152 1.00 0.38 C ATOM 653 C LEU A 45 2.761 4.629 -3.843 1.00 0.37 C ATOM 654 O LEU A 45 1.825 3.821 -3.722 1.00 0.39 O ATOM 655 CB LEU A 45 4.315 5.281 -1.931 1.00 0.35 C ATOM 656 CG LEU A 45 3.744 4.848 -0.581 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.164 5.842 0.466 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.236 4.729 -0.600 1.00 0.53 C ATOM 0 H LEU A 45 5.782 5.431 -3.796 1.00 0.42 H new ATOM 0 HA LEU A 45 4.125 3.332 -2.828 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.387 5.428 -1.802 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.887 6.254 -2.172 1.00 0.35 H new ATOM 0 HG LEU A 45 4.137 3.857 -0.353 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.762 5.543 1.434 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.252 5.876 0.520 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.783 6.829 0.204 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.883 4.419 0.384 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.798 5.694 -0.855 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.939 3.988 -1.342 1.00 0.53 H new ATOM 670 N MET A 46 2.663 5.751 -4.574 1.00 0.37 N ATOM 671 CA MET A 46 1.452 6.062 -5.350 1.00 0.40 C ATOM 672 C MET A 46 1.107 4.940 -6.327 1.00 0.35 C ATOM 673 O MET A 46 -0.065 4.584 -6.494 1.00 0.36 O ATOM 674 CB MET A 46 1.591 7.375 -6.121 1.00 0.52 C ATOM 675 CG MET A 46 1.738 8.598 -5.250 1.00 0.70 C ATOM 676 SD MET A 46 1.624 10.139 -6.199 1.00 0.96 S ATOM 677 CE MET A 46 3.090 10.029 -7.225 1.00 2.41 C ATOM 0 H MET A 46 3.401 6.452 -4.644 1.00 0.37 H new ATOM 0 HA MET A 46 0.644 6.164 -4.626 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.458 7.306 -6.778 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.716 7.502 -6.759 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.964 8.589 -4.482 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.698 8.561 -4.736 1.00 0.70 H new ATOM 0 HE1 MET A 46 3.811 10.784 -6.912 1.00 2.41 H new ATOM 0 HE2 MET A 46 3.533 9.039 -7.121 1.00 2.41 H new ATOM 0 HE3 MET A 46 2.818 10.197 -8.267 1.00 2.41 H new ATOM 687 N GLU A 47 2.133 4.366 -6.930 1.00 0.37 N ATOM 688 CA GLU A 47 1.971 3.284 -7.893 1.00 0.39 C ATOM 689 C GLU A 47 1.419 2.038 -7.200 1.00 0.37 C ATOM 690 O GLU A 47 0.568 1.340 -7.750 1.00 0.43 O ATOM 691 CB GLU A 47 3.308 2.968 -8.556 1.00 0.48 C ATOM 692 CG GLU A 47 3.944 4.147 -9.262 1.00 0.68 C ATOM 693 CD GLU A 47 3.109 4.682 -10.398 1.00 1.41 C ATOM 694 OE1 GLU A 47 2.242 5.554 -10.167 1.00 2.15 O ATOM 695 OE2 GLU A 47 3.324 4.259 -11.547 1.00 1.84 O ATOM 0 H GLU A 47 3.103 4.635 -6.768 1.00 0.37 H new ATOM 0 HA GLU A 47 1.264 3.600 -8.660 1.00 0.39 H new ATOM 0 HB2 GLU A 47 3.998 2.597 -7.798 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.163 2.163 -9.276 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.116 4.945 -8.539 1.00 0.68 H new ATOM 0 HG3 GLU A 47 4.920 3.849 -9.646 1.00 0.68 H new ATOM 702 N THR A 48 1.890 1.791 -5.983 1.00 0.36 N ATOM 703 CA THR A 48 1.432 0.673 -5.175 1.00 0.39 C ATOM 704 C THR A 48 -0.075 0.789 -4.932 1.00 0.35 C ATOM 705 O THR A 48 -0.840 -0.149 -5.216 1.00 0.40 O ATOM 706 CB THR A 48 2.185 0.671 -3.834 1.00 0.43 C ATOM 707 OG1 THR A 48 3.594 0.624 -4.099 1.00 0.51 O ATOM 708 CG2 THR A 48 1.784 -0.528 -2.983 1.00 0.51 C ATOM 0 H THR A 48 2.602 2.364 -5.530 1.00 0.36 H new ATOM 0 HA THR A 48 1.631 -0.261 -5.701 1.00 0.39 H new ATOM 0 HB THR A 48 1.931 1.576 -3.283 1.00 0.43 H new ATOM 0 HG1 THR A 48 3.893 1.496 -4.432 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.331 -0.505 -2.041 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.713 -0.490 -2.782 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.020 -1.448 -3.517 1.00 0.51 H new ATOM 716 N ALA A 49 -0.493 1.945 -4.437 1.00 0.31 N ATOM 717 CA ALA A 49 -1.896 2.215 -4.174 1.00 0.32 C ATOM 718 C ALA A 49 -2.721 2.081 -5.451 1.00 0.30 C ATOM 719 O ALA A 49 -3.797 1.482 -5.442 1.00 0.32 O ATOM 720 CB ALA A 49 -2.055 3.597 -3.589 1.00 0.38 C ATOM 0 H ALA A 49 0.130 2.719 -4.207 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.261 1.482 -3.455 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -3.110 3.791 -3.395 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.496 3.663 -2.655 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.674 4.336 -4.293 1.00 0.38 H new ATOM 726 N ALA A 50 -2.173 2.586 -6.554 1.00 0.29 N ATOM 727 CA ALA A 50 -2.830 2.538 -7.864 1.00 0.31 C ATOM 728 C ALA A 50 -3.118 1.098 -8.305 1.00 0.31 C ATOM 729 O ALA A 50 -4.197 0.805 -8.858 1.00 0.35 O ATOM 730 CB ALA A 50 -1.983 3.246 -8.901 1.00 0.39 C ATOM 0 H ALA A 50 -1.260 3.041 -6.568 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.787 3.051 -7.772 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.482 3.203 -9.869 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.846 4.287 -8.609 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -1.011 2.758 -8.972 1.00 0.39 H new ATOM 736 N ARG A 51 -2.164 0.206 -8.054 1.00 0.32 N ATOM 737 CA ARG A 51 -2.322 -1.219 -8.367 1.00 0.38 C ATOM 738 C ARG A 51 -3.488 -1.793 -7.577 1.00 0.37 C ATOM 739 O ARG A 51 -4.344 -2.507 -8.111 1.00 0.47 O ATOM 740 CB ARG A 51 -1.049 -2.002 -8.002 1.00 0.49 C ATOM 741 CG ARG A 51 0.199 -1.614 -8.779 1.00 0.97 C ATOM 742 CD ARG A 51 0.056 -1.924 -10.253 1.00 0.98 C ATOM 743 NE ARG A 51 1.274 -1.596 -11.007 1.00 1.92 N ATOM 744 CZ ARG A 51 1.834 -2.384 -11.929 1.00 2.31 C ATOM 745 NH1 ARG A 51 1.327 -3.592 -12.172 1.00 2.05 N ATOM 746 NH2 ARG A 51 2.903 -1.962 -12.583 1.00 3.40 N ATOM 0 H ARG A 51 -1.266 0.443 -7.632 1.00 0.32 H new ATOM 0 HA ARG A 51 -2.508 -1.312 -9.437 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.851 -1.866 -6.939 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -1.238 -3.064 -8.158 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.394 -0.550 -8.648 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.060 -2.148 -8.376 1.00 0.97 H new ATOM 0 HD2 ARG A 51 -0.175 -2.982 -10.380 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.785 -1.363 -10.661 1.00 0.98 H new ATOM 0 HE ARG A 51 1.724 -0.702 -10.812 1.00 1.92 H new ATOM 0 HH11 ARG A 51 0.510 -3.916 -11.654 1.00 2.05 H new ATOM 0 HH12 ARG A 51 1.755 -4.193 -12.876 1.00 2.05 H new ATOM 0 HH21 ARG A 51 3.294 -1.041 -12.382 1.00 3.40 H new ATOM 0 HH22 ARG A 51 3.337 -2.557 -13.289 1.00 3.40 H new ATOM 760 N LEU A 52 -3.540 -1.429 -6.318 1.00 0.32 N ATOM 761 CA LEU A 52 -4.545 -1.925 -5.403 1.00 0.34 C ATOM 762 C LEU A 52 -5.933 -1.419 -5.776 1.00 0.33 C ATOM 763 O LEU A 52 -6.895 -2.193 -5.793 1.00 0.40 O ATOM 764 CB LEU A 52 -4.179 -1.551 -3.971 1.00 0.35 C ATOM 765 CG LEU A 52 -2.801 -2.045 -3.514 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.506 -1.620 -2.091 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.698 -3.551 -3.658 1.00 0.39 C ATOM 0 H LEU A 52 -2.882 -0.775 -5.895 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.573 -3.012 -5.476 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.212 -0.466 -3.873 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.936 -1.955 -3.299 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.052 -1.585 -4.158 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.522 -1.986 -1.798 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.522 -0.532 -2.025 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.261 -2.035 -1.423 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -1.713 -3.881 -3.329 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.464 -4.028 -3.047 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.843 -3.827 -4.702 1.00 0.39 H new ATOM 779 N GLU A 53 -6.025 -0.140 -6.117 1.00 0.28 N ATOM 780 CA GLU A 53 -7.288 0.457 -6.550 1.00 0.29 C ATOM 781 C GLU A 53 -7.803 -0.250 -7.799 1.00 0.31 C ATOM 782 O GLU A 53 -8.970 -0.560 -7.894 1.00 0.35 O ATOM 783 CB GLU A 53 -7.113 1.935 -6.899 1.00 0.29 C ATOM 784 CG GLU A 53 -6.634 2.842 -5.783 1.00 0.35 C ATOM 785 CD GLU A 53 -6.494 4.266 -6.272 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.443 4.601 -6.860 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.394 5.093 -6.006 1.00 0.51 O ATOM 0 H GLU A 53 -5.238 0.509 -6.103 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.992 0.353 -5.724 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.406 2.009 -7.726 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -8.068 2.315 -7.261 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.338 2.806 -4.951 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.675 2.486 -5.405 1.00 0.35 H new ATOM 794 N SER A 54 -6.916 -0.521 -8.729 1.00 0.35 N ATOM 795 CA SER A 54 -7.295 -1.119 -9.994 1.00 0.43 C ATOM 796 C SER A 54 -7.681 -2.600 -9.852 1.00 0.47 C ATOM 797 O SER A 54 -8.664 -3.056 -10.439 1.00 0.61 O ATOM 798 CB SER A 54 -6.172 -0.919 -11.005 1.00 0.49 C ATOM 799 OG SER A 54 -5.845 0.470 -11.102 1.00 1.16 O ATOM 0 H SER A 54 -5.918 -0.336 -8.634 1.00 0.35 H new ATOM 0 HA SER A 54 -8.191 -0.615 -10.356 1.00 0.43 H new ATOM 0 HB2 SER A 54 -5.293 -1.488 -10.702 1.00 0.49 H new ATOM 0 HB3 SER A 54 -6.477 -1.299 -11.980 1.00 0.49 H new ATOM 0 HG SER A 54 -5.260 0.721 -10.357 1.00 1.16 H new ATOM 805 N ARG A 55 -6.937 -3.332 -9.053 1.00 0.40 N ATOM 806 CA ARG A 55 -7.192 -4.753 -8.867 1.00 0.46 C ATOM 807 C ARG A 55 -8.377 -5.018 -7.920 1.00 0.47 C ATOM 808 O ARG A 55 -9.159 -5.951 -8.137 1.00 0.57 O ATOM 809 CB ARG A 55 -5.913 -5.454 -8.383 1.00 0.50 C ATOM 810 CG ARG A 55 -6.078 -6.918 -8.015 1.00 0.61 C ATOM 811 CD ARG A 55 -4.752 -7.516 -7.600 1.00 0.75 C ATOM 812 NE ARG A 55 -4.913 -8.799 -6.927 1.00 1.28 N ATOM 813 CZ ARG A 55 -4.082 -9.248 -5.982 1.00 1.65 C ATOM 814 NH1 ARG A 55 -2.933 -8.623 -5.746 1.00 1.46 N ATOM 815 NH2 ARG A 55 -4.364 -10.352 -5.307 1.00 2.65 N ATOM 0 H ARG A 55 -6.147 -2.971 -8.518 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.478 -5.172 -9.832 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.157 -5.375 -9.164 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.531 -4.918 -7.514 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.797 -7.015 -7.202 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.481 -7.469 -8.865 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.123 -7.646 -8.480 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.234 -6.823 -6.937 1.00 0.75 H new ATOM 0 HE ARG A 55 -5.704 -9.386 -7.192 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -2.682 -7.796 -6.288 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -2.303 -8.970 -5.023 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -5.221 -10.867 -5.507 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -3.724 -10.687 -4.587 1.00 2.65 H new ATOM 829 N TYR A 56 -8.520 -4.216 -6.886 1.00 0.42 N ATOM 830 CA TYR A 56 -9.598 -4.426 -5.919 1.00 0.47 C ATOM 831 C TYR A 56 -10.820 -3.564 -6.211 1.00 0.50 C ATOM 832 O TYR A 56 -11.889 -3.773 -5.637 1.00 0.67 O ATOM 833 CB TYR A 56 -9.090 -4.263 -4.474 1.00 0.52 C ATOM 834 CG TYR A 56 -8.106 -5.351 -4.083 1.00 0.53 C ATOM 835 CD1 TYR A 56 -6.758 -5.213 -4.367 1.00 0.59 C ATOM 836 CD2 TYR A 56 -8.518 -6.490 -3.395 1.00 0.62 C ATOM 837 CE1 TYR A 56 -5.848 -6.175 -3.986 1.00 0.65 C ATOM 838 CE2 TYR A 56 -7.608 -7.453 -3.001 1.00 0.70 C ATOM 839 CZ TYR A 56 -6.338 -7.394 -3.436 1.00 0.67 C ATOM 840 OH TYR A 56 -5.359 -8.226 -2.902 1.00 0.79 O ATOM 0 H TYR A 56 -7.915 -3.419 -6.687 1.00 0.42 H new ATOM 0 HA TYR A 56 -9.933 -5.458 -6.027 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.613 -3.289 -4.367 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -9.938 -4.280 -3.789 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -6.414 -4.337 -4.896 1.00 0.59 H new ATOM 0 HD2 TYR A 56 -9.565 -6.623 -3.166 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -4.787 -6.008 -4.102 1.00 0.65 H new ATOM 0 HE2 TYR A 56 -7.918 -8.252 -2.344 1.00 0.70 H new ATOM 0 HH TYR A 56 -4.511 -7.739 -2.846 1.00 0.79 H new ATOM 850 N GLY A 57 -10.661 -2.619 -7.107 1.00 0.41 N ATOM 851 CA GLY A 57 -11.770 -1.799 -7.526 1.00 0.45 C ATOM 852 C GLY A 57 -12.110 -0.717 -6.531 1.00 0.46 C ATOM 853 O GLY A 57 -13.254 -0.619 -6.090 1.00 0.61 O ATOM 0 H GLY A 57 -9.774 -2.400 -7.559 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.534 -1.341 -8.487 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.644 -2.431 -7.681 1.00 0.45 H new ATOM 857 N VAL A 58 -11.138 0.108 -6.175 1.00 0.38 N ATOM 858 CA VAL A 58 -11.373 1.169 -5.200 1.00 0.42 C ATOM 859 C VAL A 58 -10.825 2.501 -5.713 1.00 0.45 C ATOM 860 O VAL A 58 -10.285 2.566 -6.815 1.00 0.51 O ATOM 861 CB VAL A 58 -10.765 0.855 -3.770 1.00 0.42 C ATOM 862 CG1 VAL A 58 -11.056 -0.555 -3.348 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.266 1.114 -3.666 1.00 0.57 C ATOM 0 H VAL A 58 -10.187 0.067 -6.541 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.454 1.233 -5.079 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.260 1.553 -3.095 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.625 -0.736 -2.363 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -12.135 -0.707 -3.306 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.620 -1.248 -4.068 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.925 0.876 -2.659 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.738 0.488 -4.385 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.062 2.163 -3.880 1.00 0.57 H new ATOM 873 N SER A 59 -10.954 3.540 -4.914 1.00 0.51 N ATOM 874 CA SER A 59 -10.380 4.817 -5.218 1.00 0.61 C ATOM 875 C SER A 59 -10.027 5.562 -3.941 1.00 0.56 C ATOM 876 O SER A 59 -10.835 5.636 -2.990 1.00 0.63 O ATOM 877 CB SER A 59 -11.286 5.633 -6.137 1.00 0.84 C ATOM 878 OG SER A 59 -12.646 5.585 -5.717 1.00 1.59 O ATOM 0 H SER A 59 -11.465 3.513 -4.032 1.00 0.51 H new ATOM 0 HA SER A 59 -9.452 4.655 -5.767 1.00 0.61 H new ATOM 0 HB2 SER A 59 -10.947 6.669 -6.155 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.207 5.254 -7.156 1.00 0.84 H new ATOM 0 HG SER A 59 -13.196 6.120 -6.327 1.00 1.59 H new ATOM 884 N ILE A 60 -8.819 6.037 -3.889 1.00 0.50 N ATOM 885 CA ILE A 60 -8.325 6.774 -2.753 1.00 0.48 C ATOM 886 C ILE A 60 -8.283 8.271 -3.090 1.00 0.53 C ATOM 887 O ILE A 60 -7.540 8.688 -3.966 1.00 0.63 O ATOM 888 CB ILE A 60 -6.906 6.269 -2.346 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.957 4.763 -2.014 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.351 7.064 -1.162 1.00 0.53 C ATOM 891 CD1 ILE A 60 -5.617 4.150 -1.654 1.00 0.75 C ATOM 0 H ILE A 60 -8.137 5.925 -4.639 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.996 6.616 -1.909 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.234 6.423 -3.190 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -7.646 4.611 -1.184 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -7.367 4.229 -2.871 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.361 6.688 -0.903 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.279 8.117 -1.433 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -7.017 6.954 -0.306 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -5.749 3.090 -1.436 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -4.928 4.266 -2.490 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -5.211 4.653 -0.777 1.00 0.75 H new ATOM 903 N PRO A 61 -9.149 9.078 -2.456 1.00 0.65 N ATOM 904 CA PRO A 61 -9.169 10.541 -2.651 1.00 0.77 C ATOM 905 C PRO A 61 -7.863 11.201 -2.169 1.00 0.65 C ATOM 906 O PRO A 61 -7.160 10.644 -1.325 1.00 0.57 O ATOM 907 CB PRO A 61 -10.357 10.997 -1.790 1.00 0.97 C ATOM 908 CG PRO A 61 -11.179 9.767 -1.610 1.00 1.08 C ATOM 909 CD PRO A 61 -10.202 8.641 -1.536 1.00 0.83 C ATOM 0 HA PRO A 61 -9.261 10.819 -3.701 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -10.023 11.396 -0.832 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.925 11.786 -2.283 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.779 9.826 -0.702 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.871 9.632 -2.442 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.823 8.497 -0.524 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.647 7.696 -1.847 1.00 0.83 H new ATOM 917 N ASP A 62 -7.578 12.399 -2.685 1.00 0.74 N ATOM 918 CA ASP A 62 -6.322 13.133 -2.412 1.00 0.73 C ATOM 919 C ASP A 62 -6.125 13.375 -0.913 1.00 0.62 C ATOM 920 O ASP A 62 -5.046 13.138 -0.372 1.00 0.64 O ATOM 921 CB ASP A 62 -6.283 14.495 -3.155 1.00 0.93 C ATOM 922 CG ASP A 62 -6.418 14.392 -4.668 1.00 1.44 C ATOM 923 OD1 ASP A 62 -5.402 14.260 -5.391 1.00 2.07 O ATOM 924 OD2 ASP A 62 -7.562 14.469 -5.178 1.00 1.92 O ATOM 0 H ASP A 62 -8.212 12.898 -3.310 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.512 12.504 -2.780 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -7.086 15.126 -2.773 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -5.344 14.996 -2.920 1.00 0.93 H new ATOM 929 N ASP A 63 -7.186 13.808 -0.243 1.00 0.63 N ATOM 930 CA ASP A 63 -7.146 14.088 1.210 1.00 0.61 C ATOM 931 C ASP A 63 -6.857 12.819 1.974 1.00 0.59 C ATOM 932 O ASP A 63 -6.051 12.787 2.905 1.00 0.64 O ATOM 933 CB ASP A 63 -8.492 14.646 1.686 1.00 0.77 C ATOM 934 CG ASP A 63 -8.507 14.968 3.175 1.00 1.36 C ATOM 935 OD1 ASP A 63 -8.761 14.051 3.982 1.00 2.10 O ATOM 936 OD2 ASP A 63 -8.242 16.129 3.567 1.00 2.00 O ATOM 0 H ASP A 63 -8.095 13.977 -0.674 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.360 14.821 1.391 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.725 15.549 1.122 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -9.277 13.922 1.468 1.00 0.77 H new ATOM 941 N VAL A 64 -7.462 11.759 1.509 1.00 0.62 N ATOM 942 CA VAL A 64 -7.393 10.469 2.148 1.00 0.69 C ATOM 943 C VAL A 64 -6.021 9.808 1.907 1.00 0.67 C ATOM 944 O VAL A 64 -5.603 8.912 2.637 1.00 0.78 O ATOM 945 CB VAL A 64 -8.573 9.558 1.675 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.594 8.218 2.387 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.902 10.274 1.880 1.00 0.90 C ATOM 0 H VAL A 64 -8.027 11.766 0.660 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.497 10.608 3.224 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.419 9.360 0.614 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.432 7.625 2.022 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.662 7.688 2.192 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.703 8.378 3.460 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.717 9.631 1.547 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -10.031 10.506 2.937 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.910 11.198 1.302 1.00 0.90 H new ATOM 957 N ALA A 65 -5.291 10.327 0.938 1.00 0.61 N ATOM 958 CA ALA A 65 -3.963 9.832 0.635 1.00 0.67 C ATOM 959 C ALA A 65 -2.952 10.429 1.605 1.00 0.64 C ATOM 960 O ALA A 65 -1.851 9.937 1.753 1.00 0.74 O ATOM 961 CB ALA A 65 -3.587 10.153 -0.799 1.00 0.77 C ATOM 0 H ALA A 65 -5.599 11.097 0.344 1.00 0.61 H new ATOM 0 HA ALA A 65 -3.958 8.748 0.749 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.587 9.773 -1.007 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.301 9.684 -1.476 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.603 11.233 -0.946 1.00 0.77 H new ATOM 967 N GLY A 66 -3.366 11.469 2.308 1.00 0.58 N ATOM 968 CA GLY A 66 -2.500 12.111 3.270 1.00 0.66 C ATOM 969 C GLY A 66 -2.591 11.460 4.635 1.00 0.68 C ATOM 970 O GLY A 66 -2.076 11.980 5.614 1.00 0.86 O ATOM 0 H GLY A 66 -4.295 11.883 2.228 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.470 12.069 2.916 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.766 13.165 3.352 1.00 0.66 H new ATOM 974 N ARG A 67 -3.219 10.307 4.684 1.00 0.64 N ATOM 975 CA ARG A 67 -3.450 9.586 5.926 1.00 0.79 C ATOM 976 C ARG A 67 -2.466 8.433 6.080 1.00 0.77 C ATOM 977 O ARG A 67 -2.623 7.594 6.949 1.00 0.95 O ATOM 978 CB ARG A 67 -4.875 9.040 5.931 1.00 0.94 C ATOM 979 CG ARG A 67 -5.941 10.113 5.823 1.00 1.12 C ATOM 980 CD ARG A 67 -7.331 9.518 5.693 1.00 1.40 C ATOM 981 NE ARG A 67 -7.685 8.661 6.822 1.00 1.89 N ATOM 982 CZ ARG A 67 -8.717 8.860 7.635 1.00 2.51 C ATOM 983 NH1 ARG A 67 -9.531 9.903 7.456 1.00 2.93 N ATOM 984 NH2 ARG A 67 -8.940 7.998 8.619 1.00 3.22 N ATOM 0 H ARG A 67 -3.589 9.835 3.859 1.00 0.64 H new ATOM 0 HA ARG A 67 -3.306 10.274 6.759 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.990 8.342 5.102 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -5.034 8.474 6.849 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -5.901 10.754 6.704 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.734 10.745 4.959 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -8.060 10.324 5.611 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -7.390 8.940 4.771 1.00 1.40 H new ATOM 0 HE ARG A 67 -7.095 7.848 7.000 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -9.363 10.555 6.690 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -10.321 10.048 8.085 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -8.323 7.195 8.744 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -9.728 8.138 9.251 1.00 3.22 H new ATOM 998 N VAL A 68 -1.453 8.396 5.246 1.00 0.62 N ATOM 999 CA VAL A 68 -0.501 7.295 5.278 1.00 0.66 C ATOM 1000 C VAL A 68 0.847 7.683 5.911 1.00 0.67 C ATOM 1001 O VAL A 68 1.632 8.456 5.352 1.00 1.00 O ATOM 1002 CB VAL A 68 -0.298 6.654 3.865 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -1.580 5.978 3.398 1.00 0.77 C ATOM 1004 CG2 VAL A 68 0.150 7.685 2.829 1.00 0.64 C ATOM 0 H VAL A 68 -1.262 9.107 4.540 1.00 0.62 H new ATOM 0 HA VAL A 68 -0.945 6.539 5.926 1.00 0.66 H new ATOM 0 HB VAL A 68 0.492 5.909 3.960 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -1.421 5.537 2.414 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -1.857 5.196 4.105 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -2.380 6.716 3.341 1.00 0.77 H new ATOM 0 HG21 VAL A 68 0.279 7.197 1.863 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.605 8.466 2.743 1.00 0.64 H new ATOM 0 HG23 VAL A 68 1.096 8.127 3.141 1.00 0.64 H new ATOM 1014 N ASP A 69 1.055 7.224 7.119 1.00 0.54 N ATOM 1015 CA ASP A 69 2.334 7.383 7.826 1.00 0.64 C ATOM 1016 C ASP A 69 3.034 6.031 7.836 1.00 0.50 C ATOM 1017 O ASP A 69 4.261 5.927 7.708 1.00 0.54 O ATOM 1018 CB ASP A 69 2.088 7.895 9.265 1.00 0.99 C ATOM 1019 CG ASP A 69 3.328 7.936 10.154 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.314 8.611 9.785 1.00 1.37 O ATOM 1021 OD2 ASP A 69 3.362 7.267 11.210 1.00 1.84 O ATOM 0 H ASP A 69 0.347 6.724 7.657 1.00 0.54 H new ATOM 0 HA ASP A 69 2.963 8.118 7.323 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.665 8.898 9.211 1.00 0.99 H new ATOM 0 HB3 ASP A 69 1.340 7.259 9.738 1.00 0.99 H new ATOM 1026 N THR A 70 2.228 4.996 7.922 1.00 0.43 N ATOM 1027 CA THR A 70 2.686 3.631 7.929 1.00 0.37 C ATOM 1028 C THR A 70 1.934 2.798 6.856 1.00 0.33 C ATOM 1029 O THR A 70 0.791 3.135 6.479 1.00 0.34 O ATOM 1030 CB THR A 70 2.427 3.002 9.319 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.049 3.187 9.686 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.317 3.619 10.382 1.00 0.44 C ATOM 0 H THR A 70 1.214 5.086 7.990 1.00 0.43 H new ATOM 0 HA THR A 70 3.753 3.625 7.706 1.00 0.37 H new ATOM 0 HB THR A 70 2.658 1.939 9.254 1.00 0.42 H new ATOM 0 HG1 THR A 70 0.774 4.104 9.475 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.109 3.154 11.346 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.363 3.458 10.120 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.120 4.689 10.445 1.00 0.44 H new ATOM 1040 N PRO A 71 2.560 1.708 6.323 1.00 0.32 N ATOM 1041 CA PRO A 71 1.911 0.794 5.373 1.00 0.31 C ATOM 1042 C PRO A 71 0.707 0.095 5.999 1.00 0.29 C ATOM 1043 O PRO A 71 -0.170 -0.401 5.289 1.00 0.33 O ATOM 1044 CB PRO A 71 3.002 -0.237 5.035 1.00 0.34 C ATOM 1045 CG PRO A 71 4.276 0.426 5.401 1.00 0.38 C ATOM 1046 CD PRO A 71 3.955 1.323 6.558 1.00 0.36 C ATOM 0 HA PRO A 71 1.533 1.323 4.498 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.861 -1.161 5.597 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.983 -0.501 3.978 1.00 0.34 H new ATOM 0 HG2 PRO A 71 5.034 -0.308 5.675 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.674 0.997 4.562 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.073 0.806 7.510 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.611 2.193 6.584 1.00 0.36 H new ATOM 1054 N ARG A 72 0.672 0.069 7.341 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.440 -0.498 8.095 1.00 0.34 C ATOM 1056 C ARG A 72 -1.706 0.226 7.701 1.00 0.36 C ATOM 1057 O ARG A 72 -2.712 -0.396 7.380 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.218 -0.303 9.594 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.246 -0.991 10.484 1.00 0.54 C ATOM 1060 CD ARG A 72 -1.079 -0.562 11.930 1.00 0.69 C ATOM 1061 NE ARG A 72 -1.424 0.858 12.110 1.00 0.75 N ATOM 1062 CZ ARG A 72 -0.756 1.731 12.868 1.00 0.98 C ATOM 1063 NH1 ARG A 72 0.360 1.369 13.496 1.00 1.38 N ATOM 1064 NH2 ARG A 72 -1.211 2.981 12.998 1.00 1.16 N ATOM 0 H ARG A 72 1.418 0.443 7.927 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.515 -1.563 7.877 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.773 -0.675 9.852 1.00 0.41 H new ATOM 0 HB3 ARG A 72 -0.225 0.765 9.813 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.252 -0.747 10.141 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.136 -2.073 10.406 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.713 -1.176 12.569 1.00 0.69 H new ATOM 0 HD3 ARG A 72 -0.049 -0.731 12.245 1.00 0.69 H new ATOM 0 HE ARG A 72 -2.244 1.205 11.613 1.00 0.75 H new ATOM 0 HH11 ARG A 72 0.713 0.417 13.401 1.00 1.38 H new ATOM 0 HH12 ARG A 72 0.863 2.044 14.073 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -2.066 3.265 12.519 1.00 1.16 H new ATOM 0 HH22 ARG A 72 -0.704 3.651 13.576 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.609 1.548 7.679 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.713 2.423 7.341 1.00 0.42 C ATOM 1080 C GLU A 73 -3.075 2.279 5.888 1.00 0.40 C ATOM 1081 O GLU A 73 -4.224 2.240 5.564 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.334 3.853 7.628 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.985 4.101 9.069 1.00 0.63 C ATOM 1084 CD GLU A 73 -1.373 5.438 9.257 1.00 0.74 C ATOM 1085 OE1 GLU A 73 -0.215 5.605 8.857 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -2.034 6.351 9.795 1.00 1.33 O ATOM 0 H GLU A 73 -0.747 2.046 7.899 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.576 2.145 7.946 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.484 4.128 7.004 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.161 4.504 7.345 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.883 4.022 9.681 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.295 3.332 9.415 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.068 2.183 5.023 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.282 2.024 3.572 1.00 0.43 C ATOM 1095 C LEU A 74 -3.152 0.773 3.348 1.00 0.41 C ATOM 1096 O LEU A 74 -4.183 0.820 2.666 1.00 0.42 O ATOM 1097 CB LEU A 74 -0.903 1.857 2.870 1.00 0.44 C ATOM 1098 CG LEU A 74 -0.792 2.125 1.339 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.626 1.881 0.879 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -1.750 1.283 0.507 1.00 1.10 C ATOM 0 H LEU A 74 -1.086 2.212 5.297 1.00 0.40 H new ATOM 0 HA LEU A 74 -2.784 2.897 3.156 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.197 2.520 3.371 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.565 0.837 3.050 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.072 3.167 1.184 1.00 0.50 H new ATOM 0 HD11 LEU A 74 0.699 2.070 -0.192 1.00 1.04 H new ATOM 0 HD12 LEU A 74 1.302 2.550 1.412 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.902 0.847 1.085 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -1.620 1.520 -0.549 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -1.541 0.226 0.670 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -2.776 1.500 0.803 1.00 1.10 H new ATOM 1112 N LEU A 75 -2.734 -0.313 3.966 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.419 -1.591 3.889 1.00 0.41 C ATOM 1114 C LEU A 75 -4.838 -1.457 4.473 1.00 0.39 C ATOM 1115 O LEU A 75 -5.844 -1.721 3.796 1.00 0.37 O ATOM 1116 CB LEU A 75 -2.613 -2.620 4.709 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.062 -4.078 4.647 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -2.799 -4.655 3.274 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -2.349 -4.895 5.711 1.00 0.54 C ATOM 0 H LEU A 75 -1.895 -0.334 4.546 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.497 -1.914 2.851 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -1.575 -2.573 4.380 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -2.631 -2.307 5.753 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.134 -4.119 4.838 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.125 -5.695 3.248 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -3.350 -4.083 2.527 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -1.732 -4.604 3.056 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -2.679 -5.932 5.655 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -1.273 -4.847 5.546 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -2.583 -4.492 6.697 1.00 0.54 H new ATOM 1131 N ASP A 76 -4.888 -0.977 5.703 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.124 -0.839 6.495 1.00 0.48 C ATOM 1133 C ASP A 76 -7.152 0.086 5.835 1.00 0.40 C ATOM 1134 O ASP A 76 -8.338 -0.231 5.799 1.00 0.44 O ATOM 1135 CB ASP A 76 -5.774 -0.328 7.893 1.00 0.66 C ATOM 1136 CG ASP A 76 -6.966 -0.129 8.790 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -7.437 -1.106 9.403 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -7.490 1.004 8.862 1.00 1.89 O ATOM 0 H ASP A 76 -4.056 -0.661 6.202 1.00 0.44 H new ATOM 0 HA ASP A 76 -6.586 -1.824 6.558 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.091 -1.034 8.366 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.241 0.618 7.800 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.679 1.200 5.303 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.509 2.212 4.638 1.00 0.38 C ATOM 1145 C LEU A 77 -8.314 1.583 3.514 1.00 0.33 C ATOM 1146 O LEU A 77 -9.532 1.785 3.406 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.606 3.309 4.061 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.286 4.513 3.433 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.042 5.292 4.487 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.259 5.392 2.736 1.00 1.24 C ATOM 0 H LEU A 77 -5.688 1.439 5.317 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.196 2.639 5.368 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.957 3.667 4.861 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.962 2.854 3.308 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.001 4.169 2.685 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.526 6.153 4.026 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -8.798 4.651 4.941 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -7.348 5.634 5.255 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.759 6.252 2.290 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.523 5.737 3.462 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.758 4.818 1.956 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.635 0.797 2.702 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.257 0.113 1.596 1.00 0.32 C ATOM 1164 C ILE A 78 -9.176 -0.976 2.127 1.00 0.29 C ATOM 1165 O ILE A 78 -10.328 -1.067 1.714 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.186 -0.474 0.635 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -6.381 0.681 0.017 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.827 -1.346 -0.455 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.291 0.247 -0.929 1.00 0.63 C ATOM 0 H ILE A 78 -6.635 0.617 2.794 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.851 0.825 1.023 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.516 -1.120 1.202 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -7.066 1.340 -0.516 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.935 1.267 0.821 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -7.050 -1.740 -1.109 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.364 -2.173 0.010 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -8.523 -0.744 -1.040 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.775 1.125 -1.317 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -4.580 -0.386 -0.399 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -5.728 -0.312 -1.756 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.663 -1.769 3.072 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.431 -2.867 3.702 1.00 0.33 C ATOM 1183 C ASN A 79 -10.767 -2.386 4.244 1.00 0.37 C ATOM 1184 O ASN A 79 -11.812 -3.004 3.997 1.00 0.46 O ATOM 1185 CB ASN A 79 -8.653 -3.520 4.852 1.00 0.42 C ATOM 1186 CG ASN A 79 -7.593 -4.530 4.442 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.347 -5.469 5.164 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -6.948 -4.350 3.318 1.00 0.55 N ATOM 0 H ASN A 79 -7.711 -1.676 3.426 1.00 0.30 H new ATOM 0 HA ASN A 79 -9.601 -3.600 2.913 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.173 -2.733 5.434 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -9.365 -4.016 5.512 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -6.222 -5.008 3.036 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.171 -3.551 2.724 1.00 0.55 H new ATOM 1195 N GLY A 80 -10.729 -1.285 4.958 1.00 0.37 N ATOM 1196 CA GLY A 80 -11.915 -0.731 5.539 1.00 0.46 C ATOM 1197 C GLY A 80 -12.852 -0.139 4.510 1.00 0.47 C ATOM 1198 O GLY A 80 -14.079 -0.268 4.630 1.00 0.57 O ATOM 0 H GLY A 80 -9.878 -0.756 5.148 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.439 -1.509 6.095 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.636 0.041 6.256 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.288 0.485 3.488 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.081 1.134 2.456 1.00 0.49 C ATOM 1204 C ALA A 81 -13.835 0.108 1.619 1.00 0.54 C ATOM 1205 O ALA A 81 -14.931 0.383 1.126 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.205 2.015 1.591 1.00 0.49 C ATOM 0 H ALA A 81 -11.280 0.556 3.351 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.823 1.768 2.941 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.814 2.493 0.824 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.735 2.779 2.209 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.434 1.408 1.116 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.237 -1.070 1.469 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.841 -2.198 0.747 1.00 0.57 C ATOM 1214 C LEU A 82 -15.246 -2.513 1.249 1.00 0.70 C ATOM 1215 O LEU A 82 -16.175 -2.624 0.469 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.975 -3.452 0.904 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.603 -3.424 0.241 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.779 -4.605 0.704 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.747 -3.453 -1.269 1.00 0.63 C ATOM 0 H LEU A 82 -12.312 -1.276 1.846 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.903 -1.906 -0.301 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.835 -3.637 1.969 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.529 -4.301 0.503 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.096 -2.503 0.527 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -9.800 -4.576 0.225 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.655 -4.560 1.786 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.287 -5.531 0.435 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -10.759 -3.433 -1.729 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.268 -4.363 -1.567 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.318 -2.584 -1.597 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.407 -2.586 2.558 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.681 -3.001 3.147 1.00 0.87 C ATOM 1233 C ALA A 83 -17.717 -1.886 3.162 1.00 1.01 C ATOM 1234 O ALA A 83 -18.851 -2.091 3.604 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.473 -3.576 4.536 1.00 0.90 C ATOM 0 H ALA A 83 -14.678 -2.366 3.237 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.083 -3.784 2.504 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.434 -3.877 4.953 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.816 -4.443 4.476 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -16.020 -2.821 5.178 1.00 0.90 H new