USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=13 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 180:sc= -0.0227 USER MOD Single : A 7 THR OG1 : rot 170:sc= 0 USER MOD Single : A 17 SER OG : rot 85:sc= 0.373 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -166:sc= 0.375 USER MOD Single : A 42 SER OG : rot 180:sc= -0.033 USER MOD Single : A 46 MET CE :methyl -144:sc= -1.63 (180deg=-3.76!) USER MOD Single : A 48 THR OG1 : rot 63:sc= 1.19 USER MOD Single : A 54 SER OG : rot 89:sc= 1.21 USER MOD Single : A 56 TYR OH : rot -168:sc= 0.825 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.64 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.668 F(o=-1.2,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 13.554 -3.203 3.230 1.00 0.80 N ATOM 45 CA LEU A 4 12.709 -3.323 2.089 1.00 0.65 C ATOM 46 C LEU A 4 11.332 -3.742 2.557 1.00 0.68 C ATOM 47 O LEU A 4 11.198 -4.425 3.572 1.00 0.86 O ATOM 48 CB LEU A 4 13.279 -4.340 1.089 1.00 0.70 C ATOM 49 CG LEU A 4 12.553 -4.451 -0.252 1.00 0.69 C ATOM 50 CD1 LEU A 4 12.700 -3.159 -1.044 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.066 -5.639 -1.052 1.00 1.01 C ATOM 0 HA LEU A 4 12.648 -2.364 1.574 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.320 -4.082 0.894 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.277 -5.322 1.561 1.00 0.70 H new ATOM 0 HG LEU A 4 11.494 -4.615 -0.055 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.178 -3.254 -1.996 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.271 -2.333 -0.476 1.00 0.70 H new ATOM 0 HD13 LEU A 4 13.756 -2.963 -1.228 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.533 -5.696 -2.001 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.133 -5.517 -1.241 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.900 -6.557 -0.488 1.00 1.01 H new ATOM 63 N LEU A 5 10.334 -3.310 1.851 1.00 0.60 N ATOM 64 CA LEU A 5 8.977 -3.619 2.190 1.00 0.64 C ATOM 65 C LEU A 5 8.559 -4.778 1.300 1.00 0.59 C ATOM 66 O LEU A 5 8.761 -4.722 0.080 1.00 0.61 O ATOM 67 CB LEU A 5 8.119 -2.366 1.930 1.00 0.69 C ATOM 68 CG LEU A 5 6.723 -2.267 2.580 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.168 -0.903 2.330 1.00 1.61 C ATOM 70 CD2 LEU A 5 5.748 -3.282 2.038 1.00 1.54 C ATOM 0 H LEU A 5 10.437 -2.730 1.018 1.00 0.60 H new ATOM 0 HA LEU A 5 8.855 -3.900 3.236 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.695 -1.500 2.255 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.987 -2.275 0.852 1.00 0.69 H new ATOM 0 HG LEU A 5 6.850 -2.465 3.644 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.181 -0.823 2.786 1.00 1.61 H new ATOM 0 HD12 LEU A 5 6.831 -0.155 2.766 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.087 -0.734 1.256 1.00 1.61 H new ATOM 0 HD21 LEU A 5 4.785 -3.162 2.534 1.00 1.54 H new ATOM 0 HD22 LEU A 5 5.625 -3.132 0.965 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.128 -4.287 2.222 1.00 1.54 H new ATOM 82 N THR A 6 8.021 -5.810 1.895 1.00 0.61 N ATOM 83 CA THR A 6 7.617 -6.991 1.180 1.00 0.63 C ATOM 84 C THR A 6 6.090 -7.171 1.229 1.00 0.57 C ATOM 85 O THR A 6 5.377 -6.371 1.858 1.00 0.59 O ATOM 86 CB THR A 6 8.299 -8.232 1.800 1.00 0.79 C ATOM 87 OG1 THR A 6 8.045 -8.235 3.225 1.00 0.95 O ATOM 88 CG2 THR A 6 9.804 -8.216 1.546 1.00 0.97 C ATOM 0 H THR A 6 7.849 -5.854 2.899 1.00 0.61 H new ATOM 0 HA THR A 6 7.920 -6.880 0.139 1.00 0.63 H new ATOM 0 HB THR A 6 7.890 -9.131 1.338 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.471 -9.018 3.632 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.258 -9.100 1.993 1.00 0.97 H new ATOM 0 HG22 THR A 6 9.992 -8.215 0.472 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.239 -7.321 1.991 1.00 0.97 H new ATOM 96 N THR A 7 5.602 -8.248 0.638 1.00 0.60 N ATOM 97 CA THR A 7 4.184 -8.570 0.642 1.00 0.59 C ATOM 98 C THR A 7 3.763 -8.960 2.074 1.00 0.53 C ATOM 99 O THR A 7 2.620 -8.746 2.499 1.00 0.56 O ATOM 100 CB THR A 7 3.918 -9.759 -0.321 1.00 0.69 C ATOM 101 OG1 THR A 7 4.573 -9.504 -1.583 1.00 0.90 O ATOM 102 CG2 THR A 7 2.423 -9.946 -0.561 1.00 0.81 C ATOM 0 H THR A 7 6.179 -8.926 0.140 1.00 0.60 H new ATOM 0 HA THR A 7 3.608 -7.706 0.311 1.00 0.59 H new ATOM 0 HB THR A 7 4.312 -10.668 0.134 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.546 -10.313 -2.135 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.265 -10.785 -1.239 1.00 0.81 H new ATOM 0 HG22 THR A 7 1.925 -10.147 0.387 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.009 -9.040 -1.003 1.00 0.81 H new ATOM 110 N ASP A 8 4.746 -9.453 2.820 1.00 0.54 N ATOM 111 CA ASP A 8 4.577 -9.905 4.199 1.00 0.54 C ATOM 112 C ASP A 8 4.249 -8.718 5.089 1.00 0.52 C ATOM 113 O ASP A 8 3.324 -8.759 5.900 1.00 0.54 O ATOM 114 CB ASP A 8 5.891 -10.554 4.671 1.00 0.63 C ATOM 115 CG ASP A 8 5.838 -11.147 6.070 1.00 1.48 C ATOM 116 OD1 ASP A 8 6.026 -10.421 7.062 1.00 2.26 O ATOM 117 OD2 ASP A 8 5.661 -12.385 6.195 1.00 1.98 O ATOM 0 H ASP A 8 5.702 -9.552 2.478 1.00 0.54 H new ATOM 0 HA ASP A 8 3.763 -10.628 4.255 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.166 -11.340 3.968 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.683 -9.806 4.638 1.00 0.63 H new ATOM 122 N ASP A 9 4.990 -7.640 4.890 1.00 0.57 N ATOM 123 CA ASP A 9 4.826 -6.442 5.697 1.00 0.64 C ATOM 124 C ASP A 9 3.580 -5.682 5.301 1.00 0.59 C ATOM 125 O ASP A 9 2.810 -5.240 6.169 1.00 0.63 O ATOM 126 CB ASP A 9 6.045 -5.524 5.602 1.00 0.79 C ATOM 127 CG ASP A 9 5.979 -4.394 6.614 1.00 1.60 C ATOM 128 OD1 ASP A 9 6.161 -4.663 7.826 1.00 1.70 O ATOM 129 OD2 ASP A 9 5.790 -3.225 6.235 1.00 2.47 O ATOM 0 H ASP A 9 5.713 -7.570 4.174 1.00 0.57 H new ATOM 0 HA ASP A 9 4.725 -6.770 6.731 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.952 -6.106 5.765 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.110 -5.108 4.596 1.00 0.79 H new ATOM 134 N LEU A 10 3.349 -5.568 3.987 1.00 0.54 N ATOM 135 CA LEU A 10 2.187 -4.840 3.472 1.00 0.54 C ATOM 136 C LEU A 10 0.889 -5.465 3.945 1.00 0.53 C ATOM 137 O LEU A 10 -0.072 -4.761 4.189 1.00 0.59 O ATOM 138 CB LEU A 10 2.158 -4.765 1.942 1.00 0.55 C ATOM 139 CG LEU A 10 0.961 -3.975 1.371 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.081 -2.486 1.660 1.00 0.70 C ATOM 141 CD2 LEU A 10 0.758 -4.239 -0.102 1.00 0.65 C ATOM 0 H LEU A 10 3.949 -5.969 3.266 1.00 0.54 H new ATOM 0 HA LEU A 10 2.283 -3.828 3.866 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.083 -4.304 1.594 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.136 -5.778 1.540 1.00 0.55 H new ATOM 0 HG LEU A 10 0.070 -4.336 1.885 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.220 -1.964 1.243 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.115 -2.326 2.738 1.00 0.70 H new ATOM 0 HD13 LEU A 10 1.994 -2.100 1.207 1.00 0.70 H new ATOM 0 HD21 LEU A 10 -0.095 -3.662 -0.461 1.00 0.65 H new ATOM 0 HD22 LEU A 10 1.652 -3.944 -0.651 1.00 0.65 H new ATOM 0 HD23 LEU A 10 0.570 -5.301 -0.259 1.00 0.65 H new ATOM 153 N ARG A 11 0.877 -6.781 4.082 1.00 0.49 N ATOM 154 CA ARG A 11 -0.307 -7.504 4.522 1.00 0.50 C ATOM 155 C ARG A 11 -0.830 -6.959 5.847 1.00 0.54 C ATOM 156 O ARG A 11 -2.014 -6.722 6.003 1.00 0.63 O ATOM 157 CB ARG A 11 0.003 -8.991 4.615 1.00 0.51 C ATOM 158 CG ARG A 11 -1.189 -9.865 4.950 1.00 0.61 C ATOM 159 CD ARG A 11 -0.916 -11.305 4.571 1.00 0.72 C ATOM 160 NE ARG A 11 0.275 -11.839 5.225 1.00 0.96 N ATOM 161 CZ ARG A 11 1.188 -12.615 4.645 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.096 -12.915 3.343 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.204 -13.078 5.368 1.00 1.80 N ATOM 0 H ARG A 11 1.683 -7.377 3.893 1.00 0.49 H new ATOM 0 HA ARG A 11 -1.098 -7.360 3.786 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.423 -9.321 3.665 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.772 -9.142 5.373 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.407 -9.799 6.016 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -2.071 -9.505 4.421 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.778 -11.917 4.837 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.796 -11.376 3.490 1.00 0.72 H new ATOM 0 HE ARG A 11 0.419 -11.598 6.206 1.00 0.96 H new ATOM 0 HH11 ARG A 11 0.322 -12.548 2.789 1.00 1.65 H new ATOM 0 HH12 ARG A 11 1.800 -13.510 2.906 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.278 -12.838 6.357 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.909 -13.673 4.934 1.00 1.80 H new ATOM 177 N ARG A 12 0.070 -6.709 6.759 1.00 0.54 N ATOM 178 CA ARG A 12 -0.297 -6.170 8.054 1.00 0.60 C ATOM 179 C ARG A 12 -0.532 -4.668 7.951 1.00 0.58 C ATOM 180 O ARG A 12 -1.486 -4.135 8.527 1.00 0.66 O ATOM 181 CB ARG A 12 0.794 -6.496 9.076 1.00 0.68 C ATOM 182 CG ARG A 12 0.988 -7.990 9.255 1.00 0.80 C ATOM 183 CD ARG A 12 2.161 -8.324 10.149 1.00 0.96 C ATOM 184 NE ARG A 12 2.356 -9.773 10.226 1.00 1.50 N ATOM 185 CZ ARG A 12 3.307 -10.447 9.559 1.00 2.02 C ATOM 186 NH1 ARG A 12 4.180 -9.779 8.810 1.00 2.23 N ATOM 187 NH2 ARG A 12 3.363 -11.772 9.632 1.00 2.93 N ATOM 0 H ARG A 12 1.070 -6.869 6.635 1.00 0.54 H new ATOM 0 HA ARG A 12 -1.227 -6.629 8.389 1.00 0.60 H new ATOM 0 HB2 ARG A 12 1.734 -6.046 8.757 1.00 0.68 H new ATOM 0 HB3 ARG A 12 0.535 -6.048 10.035 1.00 0.68 H new ATOM 0 HG2 ARG A 12 0.081 -8.422 9.677 1.00 0.80 H new ATOM 0 HG3 ARG A 12 1.137 -8.452 8.279 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.064 -7.850 9.765 1.00 0.96 H new ATOM 0 HD3 ARG A 12 1.990 -7.921 11.147 1.00 0.96 H new ATOM 0 HE ARG A 12 1.727 -10.306 10.827 1.00 1.50 H new ATOM 0 HH11 ARG A 12 4.124 -8.763 8.746 1.00 2.23 H new ATOM 0 HH12 ARG A 12 4.905 -10.283 8.300 1.00 2.23 H new ATOM 0 HH21 ARG A 12 2.682 -12.281 10.196 1.00 2.93 H new ATOM 0 HH22 ARG A 12 4.087 -12.281 9.124 1.00 2.93 H new ATOM 201 N ALA A 13 0.304 -4.009 7.167 1.00 0.54 N ATOM 202 CA ALA A 13 0.260 -2.561 6.968 1.00 0.58 C ATOM 203 C ALA A 13 -1.065 -2.097 6.391 1.00 0.56 C ATOM 204 O ALA A 13 -1.618 -1.070 6.810 1.00 0.65 O ATOM 205 CB ALA A 13 1.368 -2.151 6.033 1.00 0.66 C ATOM 0 H ALA A 13 1.047 -4.468 6.640 1.00 0.54 H new ATOM 0 HA ALA A 13 0.382 -2.095 7.946 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.337 -1.072 5.883 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.330 -2.430 6.464 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.240 -2.654 5.075 1.00 0.66 H new ATOM 211 N LEU A 14 -1.555 -2.845 5.436 1.00 0.53 N ATOM 212 CA LEU A 14 -2.772 -2.518 4.736 1.00 0.59 C ATOM 213 C LEU A 14 -3.951 -2.561 5.720 1.00 0.75 C ATOM 214 O LEU A 14 -4.812 -1.672 5.715 1.00 1.02 O ATOM 215 CB LEU A 14 -2.963 -3.509 3.573 1.00 0.54 C ATOM 216 CG LEU A 14 -3.886 -3.077 2.438 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.340 -1.841 1.739 1.00 0.62 C ATOM 218 CD2 LEU A 14 -4.067 -4.200 1.441 1.00 1.06 C ATOM 0 H LEU A 14 -1.115 -3.709 5.118 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.719 -1.512 4.321 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.983 -3.726 3.148 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -3.346 -4.443 3.984 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.857 -2.832 2.869 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.014 -1.551 0.933 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.258 -1.024 2.456 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.355 -2.061 1.326 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.729 -3.872 0.639 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -3.099 -4.475 1.023 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -4.504 -5.064 1.941 1.00 1.06 H new ATOM 230 N VAL A 15 -3.932 -3.566 6.601 1.00 0.71 N ATOM 231 CA VAL A 15 -4.947 -3.748 7.649 1.00 0.83 C ATOM 232 C VAL A 15 -4.967 -2.524 8.561 1.00 0.85 C ATOM 233 O VAL A 15 -6.000 -1.873 8.710 1.00 0.98 O ATOM 234 CB VAL A 15 -4.626 -5.009 8.502 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.618 -5.172 9.649 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.639 -6.253 7.639 1.00 0.91 C ATOM 0 H VAL A 15 -3.207 -4.283 6.609 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.919 -3.875 7.173 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.630 -4.873 8.923 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.365 -6.062 10.225 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.573 -4.296 10.296 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.626 -5.274 9.247 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.412 -7.124 8.253 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.624 -6.373 7.188 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.890 -6.158 6.853 1.00 0.91 H new ATOM 246 N GLU A 16 -3.807 -2.229 9.159 1.00 0.81 N ATOM 247 CA GLU A 16 -3.603 -1.083 10.059 1.00 0.87 C ATOM 248 C GLU A 16 -4.149 0.226 9.460 1.00 0.89 C ATOM 249 O GLU A 16 -4.705 1.078 10.164 1.00 1.05 O ATOM 250 CB GLU A 16 -2.103 -0.907 10.307 1.00 0.91 C ATOM 251 CG GLU A 16 -1.425 -2.098 10.950 1.00 1.00 C ATOM 252 CD GLU A 16 0.065 -1.903 11.107 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.530 -0.753 11.174 1.00 1.90 O ATOM 254 OE2 GLU A 16 0.806 -2.904 11.132 1.00 1.91 O ATOM 0 H GLU A 16 -2.965 -2.790 9.030 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.140 -1.289 10.985 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.613 -0.697 9.356 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.953 -0.034 10.942 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.869 -2.280 11.929 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.610 -2.986 10.346 1.00 1.00 H new ATOM 261 N SER A 17 -4.023 0.351 8.171 1.00 0.82 N ATOM 262 CA SER A 17 -4.381 1.555 7.476 1.00 0.93 C ATOM 263 C SER A 17 -5.842 1.565 7.002 1.00 1.03 C ATOM 264 O SER A 17 -6.317 2.555 6.459 1.00 1.22 O ATOM 265 CB SER A 17 -3.441 1.698 6.319 1.00 0.96 C ATOM 266 OG SER A 17 -2.088 1.598 6.775 1.00 1.58 O ATOM 0 H SER A 17 -3.665 -0.388 7.565 1.00 0.82 H new ATOM 0 HA SER A 17 -4.296 2.399 8.160 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.642 0.924 5.578 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.598 2.658 5.828 1.00 0.96 H new ATOM 0 HG SER A 17 -1.827 0.654 6.821 1.00 1.58 H new ATOM 351 N ASP A 25 -10.395 -11.101 1.806 1.00 1.06 N ATOM 352 CA ASP A 25 -9.260 -11.959 2.005 1.00 1.14 C ATOM 353 C ASP A 25 -7.985 -11.250 1.720 1.00 0.91 C ATOM 354 O ASP A 25 -7.544 -11.154 0.586 1.00 1.11 O ATOM 355 CB ASP A 25 -9.353 -13.272 1.238 1.00 1.52 C ATOM 356 CG ASP A 25 -10.487 -14.124 1.725 1.00 1.99 C ATOM 357 OD1 ASP A 25 -10.331 -14.790 2.768 1.00 2.49 O ATOM 358 OD2 ASP A 25 -11.543 -14.161 1.072 1.00 2.41 O ATOM 0 HA ASP A 25 -9.268 -12.228 3.061 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.485 -13.064 0.176 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.417 -13.820 1.341 1.00 1.52 H new ATOM 363 N LEU A 26 -7.422 -10.713 2.761 1.00 0.84 N ATOM 364 CA LEU A 26 -6.158 -10.024 2.692 1.00 0.77 C ATOM 365 C LEU A 26 -5.071 -10.963 3.201 1.00 0.86 C ATOM 366 O LEU A 26 -3.917 -10.585 3.369 1.00 1.05 O ATOM 367 CB LEU A 26 -6.213 -8.776 3.568 1.00 0.94 C ATOM 368 CG LEU A 26 -5.825 -7.460 2.896 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.790 -7.134 1.762 1.00 1.22 C ATOM 370 CD2 LEU A 26 -5.799 -6.340 3.922 1.00 1.11 C ATOM 0 H LEU A 26 -7.829 -10.739 3.696 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.943 -9.727 1.665 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -7.226 -8.676 3.957 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -5.556 -8.930 4.424 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.827 -7.563 2.470 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -6.498 -6.193 1.295 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.762 -7.932 1.020 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -7.801 -7.043 2.159 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -5.521 -5.406 3.434 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -6.787 -6.235 4.371 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -5.070 -6.574 4.698 1.00 1.11 H new ATOM 382 N SER A 27 -5.459 -12.192 3.431 1.00 0.96 N ATOM 383 CA SER A 27 -4.582 -13.173 3.976 1.00 1.13 C ATOM 384 C SER A 27 -3.811 -13.867 2.867 1.00 1.20 C ATOM 385 O SER A 27 -4.362 -14.159 1.794 1.00 1.66 O ATOM 386 CB SER A 27 -5.381 -14.198 4.803 1.00 1.36 C ATOM 387 OG SER A 27 -4.512 -15.069 5.523 1.00 1.89 O ATOM 0 H SER A 27 -6.401 -12.533 3.241 1.00 0.96 H new ATOM 0 HA SER A 27 -3.867 -12.678 4.633 1.00 1.13 H new ATOM 0 HB2 SER A 27 -6.036 -13.675 5.500 1.00 1.36 H new ATOM 0 HB3 SER A 27 -6.021 -14.783 4.142 1.00 1.36 H new ATOM 0 HG SER A 27 -5.045 -15.708 6.041 1.00 1.89 H new ATOM 393 N GLY A 28 -2.547 -14.136 3.135 1.00 1.48 N ATOM 394 CA GLY A 28 -1.706 -14.826 2.197 1.00 1.67 C ATOM 395 C GLY A 28 -1.373 -13.990 1.007 1.00 1.54 C ATOM 396 O GLY A 28 -0.819 -12.884 1.151 1.00 2.30 O ATOM 0 H GLY A 28 -2.084 -13.880 4.007 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -0.784 -15.128 2.694 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -2.205 -15.738 1.869 1.00 1.67 H new ATOM 400 N ASP A 29 -1.714 -14.492 -0.150 1.00 1.09 N ATOM 401 CA ASP A 29 -1.422 -13.822 -1.396 1.00 1.07 C ATOM 402 C ASP A 29 -2.606 -12.970 -1.804 1.00 0.87 C ATOM 403 O ASP A 29 -3.705 -13.479 -2.035 1.00 1.13 O ATOM 404 CB ASP A 29 -1.099 -14.824 -2.523 1.00 1.48 C ATOM 405 CG ASP A 29 0.001 -15.811 -2.188 1.00 2.24 C ATOM 406 OD1 ASP A 29 1.176 -15.383 -2.065 1.00 2.56 O ATOM 407 OD2 ASP A 29 -0.269 -17.027 -2.045 1.00 2.97 O ATOM 0 H ASP A 29 -2.204 -15.380 -0.259 1.00 1.09 H new ATOM 0 HA ASP A 29 -0.543 -13.197 -1.240 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -2.005 -15.378 -2.770 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -0.812 -14.268 -3.415 1.00 1.48 H new ATOM 412 N PHE A 30 -2.393 -11.686 -1.839 1.00 0.67 N ATOM 413 CA PHE A 30 -3.411 -10.726 -2.263 1.00 0.57 C ATOM 414 C PHE A 30 -2.725 -9.658 -3.110 1.00 0.49 C ATOM 415 O PHE A 30 -3.293 -8.627 -3.428 1.00 0.48 O ATOM 416 CB PHE A 30 -4.079 -10.070 -1.024 1.00 0.59 C ATOM 417 CG PHE A 30 -3.136 -9.224 -0.204 1.00 0.55 C ATOM 418 CD1 PHE A 30 -2.236 -9.807 0.665 1.00 0.64 C ATOM 419 CD2 PHE A 30 -3.133 -7.842 -0.334 1.00 0.58 C ATOM 420 CE1 PHE A 30 -1.360 -9.038 1.384 1.00 0.74 C ATOM 421 CE2 PHE A 30 -2.253 -7.070 0.386 1.00 0.65 C ATOM 422 CZ PHE A 30 -1.365 -7.665 1.246 1.00 0.73 C ATOM 0 H PHE A 30 -1.506 -11.257 -1.575 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.186 -11.230 -2.840 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.913 -9.451 -1.356 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.496 -10.852 -0.390 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.222 -10.881 0.779 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -3.830 -7.368 -1.009 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.663 -9.508 2.062 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -2.261 -5.996 0.275 1.00 0.65 H new ATOM 0 HZ PHE A 30 -0.672 -7.061 1.813 1.00 0.73 H new ATOM 432 N LEU A 31 -1.510 -9.973 -3.535 1.00 0.54 N ATOM 433 CA LEU A 31 -0.633 -9.016 -4.193 1.00 0.60 C ATOM 434 C LEU A 31 -1.139 -8.630 -5.588 1.00 0.63 C ATOM 435 O LEU A 31 -0.826 -7.543 -6.096 1.00 0.72 O ATOM 436 CB LEU A 31 0.793 -9.571 -4.262 1.00 0.75 C ATOM 437 CG LEU A 31 1.876 -8.597 -4.738 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.023 -7.437 -3.768 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.193 -9.316 -4.905 1.00 1.43 C ATOM 0 H LEU A 31 -1.103 -10.903 -3.433 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.631 -8.104 -3.596 1.00 0.60 H new ATOM 0 HB2 LEU A 31 1.068 -9.932 -3.271 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.793 -10.435 -4.927 1.00 0.75 H new ATOM 0 HG LEU A 31 1.573 -8.195 -5.705 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.797 -6.759 -4.127 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.077 -6.901 -3.695 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.301 -7.818 -2.785 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.952 -8.611 -5.244 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.497 -9.746 -3.950 1.00 1.43 H new ATOM 0 HD23 LEU A 31 3.082 -10.111 -5.642 1.00 1.43 H new ATOM 451 N ASP A 32 -1.917 -9.498 -6.198 1.00 0.66 N ATOM 452 CA ASP A 32 -2.474 -9.206 -7.512 1.00 0.83 C ATOM 453 C ASP A 32 -3.986 -9.046 -7.427 1.00 0.73 C ATOM 454 O ASP A 32 -4.683 -8.971 -8.443 1.00 0.96 O ATOM 455 CB ASP A 32 -2.061 -10.251 -8.582 1.00 1.10 C ATOM 456 CG ASP A 32 -2.600 -11.654 -8.377 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.063 -12.398 -7.538 1.00 2.33 O ATOM 458 OD2 ASP A 32 -3.598 -12.025 -9.030 1.00 2.26 O ATOM 0 H ASP A 32 -2.180 -10.406 -5.814 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.049 -8.258 -7.843 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.391 -9.894 -9.558 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -0.973 -10.301 -8.613 1.00 1.10 H new ATOM 463 N LEU A 33 -4.481 -8.950 -6.214 1.00 0.50 N ATOM 464 CA LEU A 33 -5.890 -8.728 -5.966 1.00 0.50 C ATOM 465 C LEU A 33 -6.085 -7.211 -5.871 1.00 0.50 C ATOM 466 O LEU A 33 -5.340 -6.539 -5.176 1.00 0.78 O ATOM 467 CB LEU A 33 -6.308 -9.458 -4.670 1.00 0.49 C ATOM 468 CG LEU A 33 -7.801 -9.493 -4.326 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.594 -10.140 -5.450 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.017 -10.265 -3.031 1.00 0.70 C ATOM 0 H LEU A 33 -3.917 -9.024 -5.368 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.519 -9.126 -6.763 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.954 -10.487 -4.735 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.782 -8.992 -3.837 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.151 -8.469 -4.198 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.652 -10.156 -5.187 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.457 -9.568 -6.368 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.243 -11.161 -5.602 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.080 -10.286 -2.793 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.652 -11.285 -3.150 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.473 -9.777 -2.222 1.00 0.70 H new ATOM 482 N ARG A 34 -7.052 -6.683 -6.582 1.00 0.34 N ATOM 483 CA ARG A 34 -7.181 -5.230 -6.745 1.00 0.37 C ATOM 484 C ARG A 34 -7.822 -4.549 -5.541 1.00 0.35 C ATOM 485 O ARG A 34 -8.645 -5.139 -4.835 1.00 0.40 O ATOM 486 CB ARG A 34 -7.968 -4.895 -8.006 1.00 0.45 C ATOM 487 CG ARG A 34 -7.425 -5.547 -9.270 1.00 0.60 C ATOM 488 CD ARG A 34 -8.207 -5.112 -10.488 1.00 1.01 C ATOM 489 NE ARG A 34 -7.978 -3.705 -10.785 1.00 1.74 N ATOM 490 CZ ARG A 34 -8.896 -2.738 -10.809 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.152 -2.983 -10.474 1.00 2.74 N ATOM 492 NH2 ARG A 34 -8.534 -1.516 -11.163 1.00 3.50 N ATOM 0 H ARG A 34 -7.769 -7.227 -7.063 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.166 -4.843 -6.833 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.004 -5.204 -7.867 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -7.973 -3.813 -8.141 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.375 -5.284 -9.396 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.472 -6.632 -9.172 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -7.917 -5.719 -11.346 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -9.270 -5.283 -10.321 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.018 -3.431 -10.996 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -10.431 -3.923 -10.192 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -10.842 -2.232 -10.498 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -7.564 -1.324 -11.413 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -9.225 -0.766 -11.186 1.00 3.50 H new ATOM 506 N PHE A 35 -7.471 -3.276 -5.342 1.00 0.36 N ATOM 507 CA PHE A 35 -7.970 -2.482 -4.208 1.00 0.39 C ATOM 508 C PHE A 35 -9.485 -2.298 -4.226 1.00 0.47 C ATOM 509 O PHE A 35 -10.119 -2.241 -3.168 1.00 0.54 O ATOM 510 CB PHE A 35 -7.266 -1.115 -4.096 1.00 0.41 C ATOM 511 CG PHE A 35 -5.810 -1.191 -3.708 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.437 -1.440 -2.401 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.814 -1.026 -4.663 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.106 -1.517 -2.050 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.481 -1.103 -4.317 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.132 -1.315 -2.982 1.00 0.47 C ATOM 0 H PHE A 35 -6.837 -2.766 -5.957 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.724 -3.066 -3.321 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.348 -0.599 -5.053 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.794 -0.508 -3.360 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.197 -1.576 -1.646 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.087 -0.835 -5.690 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.833 -1.739 -1.029 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.715 -1.000 -5.071 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.093 -1.319 -2.688 1.00 0.47 H new ATOM 526 N GLU A 36 -10.069 -2.238 -5.417 1.00 0.57 N ATOM 527 CA GLU A 36 -11.509 -2.054 -5.538 1.00 0.76 C ATOM 528 C GLU A 36 -12.256 -3.288 -5.033 1.00 0.74 C ATOM 529 O GLU A 36 -13.349 -3.178 -4.475 1.00 0.87 O ATOM 530 CB GLU A 36 -11.904 -1.720 -6.981 1.00 0.97 C ATOM 531 CG GLU A 36 -11.205 -0.481 -7.521 1.00 1.31 C ATOM 532 CD GLU A 36 -11.699 -0.059 -8.882 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.463 -0.789 -9.867 1.00 2.06 O ATOM 534 OE2 GLU A 36 -12.354 0.997 -9.001 1.00 1.81 O ATOM 0 H GLU A 36 -9.573 -2.313 -6.305 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.795 -1.208 -4.914 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.669 -2.570 -7.621 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.983 -1.572 -7.031 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.347 0.342 -6.820 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.133 -0.672 -7.575 1.00 1.31 H new ATOM 541 N ASP A 37 -11.632 -4.452 -5.183 1.00 0.66 N ATOM 542 CA ASP A 37 -12.210 -5.712 -4.718 1.00 0.73 C ATOM 543 C ASP A 37 -12.131 -5.787 -3.215 1.00 0.73 C ATOM 544 O ASP A 37 -13.114 -6.086 -2.534 1.00 0.89 O ATOM 545 CB ASP A 37 -11.455 -6.925 -5.289 1.00 0.75 C ATOM 546 CG ASP A 37 -11.581 -7.088 -6.777 1.00 1.29 C ATOM 547 OD1 ASP A 37 -10.774 -6.504 -7.516 1.00 2.20 O ATOM 548 OD2 ASP A 37 -12.500 -7.778 -7.237 1.00 1.28 O ATOM 0 H ASP A 37 -10.719 -4.551 -5.626 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.245 -5.738 -5.058 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.399 -6.834 -5.033 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.824 -7.829 -4.804 1.00 0.75 H new ATOM 553 N ILE A 38 -10.963 -5.462 -2.697 1.00 0.63 N ATOM 554 CA ILE A 38 -10.682 -5.585 -1.270 1.00 0.68 C ATOM 555 C ILE A 38 -11.243 -4.428 -0.417 1.00 0.68 C ATOM 556 O ILE A 38 -10.948 -4.321 0.767 1.00 0.73 O ATOM 557 CB ILE A 38 -9.167 -5.809 -0.991 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.330 -4.623 -1.500 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.707 -7.094 -1.663 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.837 -4.762 -1.265 1.00 0.64 C ATOM 0 H ILE A 38 -10.181 -5.106 -3.246 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.221 -6.477 -0.952 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.024 -5.889 0.087 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.507 -4.501 -2.569 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.679 -3.712 -1.013 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.646 -7.248 -1.466 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.276 -7.935 -1.267 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.869 -7.020 -2.738 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.324 -3.883 -1.654 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.644 -4.851 -0.196 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.470 -5.652 -1.776 1.00 0.64 H new ATOM 572 N GLY A 39 -12.101 -3.610 -1.024 1.00 0.69 N ATOM 573 CA GLY A 39 -12.772 -2.530 -0.316 1.00 0.77 C ATOM 574 C GLY A 39 -11.850 -1.403 0.115 1.00 0.65 C ATOM 575 O GLY A 39 -11.997 -0.855 1.210 1.00 0.74 O ATOM 0 H GLY A 39 -12.347 -3.679 -2.012 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.553 -2.121 -0.956 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.265 -2.939 0.566 1.00 0.77 H new ATOM 579 N TYR A 40 -10.918 -1.045 -0.732 1.00 0.52 N ATOM 580 CA TYR A 40 -10.001 0.030 -0.429 1.00 0.47 C ATOM 581 C TYR A 40 -10.252 1.248 -1.253 1.00 0.49 C ATOM 582 O TYR A 40 -10.110 1.232 -2.475 1.00 0.61 O ATOM 583 CB TYR A 40 -8.544 -0.401 -0.527 1.00 0.46 C ATOM 584 CG TYR A 40 -8.038 -1.072 0.712 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.469 -2.340 1.041 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.132 -0.449 1.547 1.00 0.61 C ATOM 587 CE1 TYR A 40 -8.013 -2.972 2.163 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.664 -1.065 2.675 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.113 -2.297 3.003 1.00 0.81 C ATOM 590 OH TYR A 40 -6.650 -2.922 4.123 1.00 1.02 O ATOM 0 H TYR A 40 -10.772 -1.483 -1.641 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.195 0.295 0.610 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.430 -1.080 -1.372 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.927 0.473 -0.735 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.179 -2.842 0.401 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.786 0.545 1.305 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.339 -3.974 2.400 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.938 -0.569 3.302 1.00 0.78 H new ATOM 0 HH TYR A 40 -6.221 -2.265 4.711 1.00 1.02 H new ATOM 600 N ASP A 41 -10.650 2.289 -0.577 1.00 0.48 N ATOM 601 CA ASP A 41 -10.871 3.578 -1.197 1.00 0.56 C ATOM 602 C ASP A 41 -9.605 4.395 -1.092 1.00 0.45 C ATOM 603 O ASP A 41 -8.709 4.065 -0.290 1.00 0.39 O ATOM 604 CB ASP A 41 -12.025 4.343 -0.523 1.00 0.75 C ATOM 605 CG ASP A 41 -13.374 3.694 -0.705 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.611 2.607 -0.125 1.00 1.20 O ATOM 607 OD2 ASP A 41 -14.209 4.229 -1.450 1.00 2.01 O ATOM 0 H ASP A 41 -10.833 2.273 0.426 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.140 3.414 -2.240 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.816 4.432 0.543 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.062 5.355 -0.926 1.00 0.75 H new ATOM 612 N SER A 42 -9.560 5.471 -1.847 1.00 0.57 N ATOM 613 CA SER A 42 -8.425 6.377 -1.939 1.00 0.62 C ATOM 614 C SER A 42 -7.926 6.825 -0.566 1.00 0.53 C ATOM 615 O SER A 42 -6.726 6.780 -0.283 1.00 0.54 O ATOM 616 CB SER A 42 -8.862 7.570 -2.748 1.00 0.83 C ATOM 617 OG SER A 42 -10.123 8.092 -2.185 1.00 1.24 O ATOM 0 H SER A 42 -10.341 5.754 -2.439 1.00 0.57 H new ATOM 0 HA SER A 42 -7.592 5.859 -2.415 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.092 8.342 -2.728 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.003 7.287 -3.791 1.00 0.83 H new ATOM 0 HG SER A 42 -10.415 8.870 -2.704 1.00 1.24 H new ATOM 622 N LEU A 43 -8.866 7.235 0.278 1.00 0.53 N ATOM 623 CA LEU A 43 -8.588 7.694 1.635 1.00 0.54 C ATOM 624 C LEU A 43 -7.769 6.682 2.423 1.00 0.45 C ATOM 625 O LEU A 43 -6.759 7.030 3.031 1.00 0.47 O ATOM 626 CB LEU A 43 -9.896 7.997 2.375 1.00 0.68 C ATOM 627 CG LEU A 43 -10.785 9.084 1.761 1.00 0.83 C ATOM 628 CD1 LEU A 43 -12.044 9.257 2.588 1.00 1.00 C ATOM 629 CD2 LEU A 43 -10.030 10.399 1.661 1.00 0.90 C ATOM 0 H LEU A 43 -9.857 7.258 0.036 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.998 8.607 1.553 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.475 7.076 2.438 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.652 8.290 3.396 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.067 8.775 0.754 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.668 10.032 2.143 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.595 8.317 2.613 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.775 9.547 3.604 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.678 11.158 1.223 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.720 10.717 2.656 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -9.150 10.266 1.032 1.00 0.90 H new ATOM 641 N ALA A 44 -8.168 5.423 2.346 1.00 0.44 N ATOM 642 CA ALA A 44 -7.516 4.356 3.069 1.00 0.41 C ATOM 643 C ALA A 44 -6.144 4.086 2.487 1.00 0.35 C ATOM 644 O ALA A 44 -5.232 3.715 3.196 1.00 0.38 O ATOM 645 CB ALA A 44 -8.370 3.095 3.042 1.00 0.43 C ATOM 0 H ALA A 44 -8.957 5.116 1.777 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.394 4.664 4.108 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.864 2.301 3.591 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.335 3.299 3.506 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.523 2.781 2.009 1.00 0.43 H new ATOM 651 N LEU A 45 -5.991 4.303 1.197 1.00 0.34 N ATOM 652 CA LEU A 45 -4.724 4.078 0.548 1.00 0.33 C ATOM 653 C LEU A 45 -3.707 5.195 0.914 1.00 0.32 C ATOM 654 O LEU A 45 -2.509 4.932 1.053 1.00 0.36 O ATOM 655 CB LEU A 45 -4.940 3.945 -0.954 1.00 0.48 C ATOM 656 CG LEU A 45 -3.739 3.520 -1.821 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.740 2.656 -1.053 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.278 2.677 -2.903 1.00 0.37 C ATOM 0 H LEU A 45 -6.732 4.635 0.580 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.289 3.144 0.904 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.740 3.222 -1.114 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.298 4.905 -1.326 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.227 4.418 -2.166 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.914 2.384 -1.710 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.356 3.215 -0.199 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.236 1.752 -0.701 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.463 2.348 -3.548 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.774 1.807 -2.473 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -4.996 3.251 -3.489 1.00 0.37 H new ATOM 670 N MET A 46 -4.197 6.427 1.126 1.00 0.37 N ATOM 671 CA MET A 46 -3.318 7.557 1.578 1.00 0.46 C ATOM 672 C MET A 46 -2.758 7.169 2.916 1.00 0.48 C ATOM 673 O MET A 46 -1.550 7.248 3.181 1.00 0.54 O ATOM 674 CB MET A 46 -4.118 8.843 1.813 1.00 0.59 C ATOM 675 CG MET A 46 -5.106 9.191 0.760 1.00 0.54 C ATOM 676 SD MET A 46 -5.904 10.782 1.070 1.00 0.89 S ATOM 677 CE MET A 46 -6.574 10.513 2.713 1.00 1.84 C ATOM 0 H MET A 46 -5.177 6.680 0.999 1.00 0.37 H new ATOM 0 HA MET A 46 -2.562 7.734 0.813 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.645 8.752 2.763 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.417 9.671 1.915 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.607 9.220 -0.209 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.865 8.411 0.704 1.00 0.54 H new ATOM 0 HE1 MET A 46 -7.536 11.019 2.801 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.709 9.444 2.880 1.00 1.84 H new ATOM 0 HE3 MET A 46 -5.885 10.912 3.457 1.00 1.84 H new ATOM 687 N GLU A 47 -3.683 6.736 3.736 1.00 0.49 N ATOM 688 CA GLU A 47 -3.461 6.240 5.054 1.00 0.55 C ATOM 689 C GLU A 47 -2.469 5.066 5.050 1.00 0.54 C ATOM 690 O GLU A 47 -1.560 5.005 5.887 1.00 0.71 O ATOM 691 CB GLU A 47 -4.828 5.853 5.601 1.00 0.58 C ATOM 692 CG GLU A 47 -5.606 7.001 6.212 1.00 0.82 C ATOM 693 CD GLU A 47 -4.850 7.665 7.337 1.00 1.48 C ATOM 694 OE1 GLU A 47 -4.833 7.126 8.462 1.00 1.84 O ATOM 695 OE2 GLU A 47 -4.252 8.741 7.112 1.00 2.31 O ATOM 0 H GLU A 47 -4.669 6.724 3.476 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.002 6.994 5.693 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.419 5.418 4.795 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.698 5.077 6.355 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.829 7.738 5.441 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.561 6.632 6.586 1.00 0.82 H new ATOM 702 N THR A 48 -2.641 4.164 4.090 1.00 0.42 N ATOM 703 CA THR A 48 -1.752 3.021 3.881 1.00 0.42 C ATOM 704 C THR A 48 -0.317 3.502 3.672 1.00 0.39 C ATOM 705 O THR A 48 0.617 3.061 4.369 1.00 0.41 O ATOM 706 CB THR A 48 -2.229 2.219 2.641 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.553 1.710 2.862 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.296 1.060 2.314 1.00 0.45 C ATOM 0 H THR A 48 -3.412 4.205 3.424 1.00 0.42 H new ATOM 0 HA THR A 48 -1.779 2.378 4.761 1.00 0.42 H new ATOM 0 HB THR A 48 -2.226 2.905 1.794 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.177 2.458 2.972 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.670 0.528 1.439 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.298 1.444 2.106 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.252 0.378 3.163 1.00 0.45 H new ATOM 716 N ALA A 49 -0.165 4.424 2.741 1.00 0.39 N ATOM 717 CA ALA A 49 1.120 4.973 2.380 1.00 0.40 C ATOM 718 C ALA A 49 1.808 5.601 3.581 1.00 0.42 C ATOM 719 O ALA A 49 2.955 5.297 3.844 1.00 0.41 O ATOM 720 CB ALA A 49 0.970 5.980 1.246 1.00 0.43 C ATOM 0 H ALA A 49 -0.943 4.815 2.210 1.00 0.39 H new ATOM 0 HA ALA A 49 1.752 4.156 2.031 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.948 6.384 0.986 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.539 5.486 0.375 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.315 6.791 1.564 1.00 0.43 H new ATOM 726 N ALA A 50 1.068 6.398 4.355 1.00 0.46 N ATOM 727 CA ALA A 50 1.624 7.133 5.511 1.00 0.51 C ATOM 728 C ALA A 50 2.316 6.205 6.524 1.00 0.49 C ATOM 729 O ALA A 50 3.392 6.532 7.063 1.00 0.49 O ATOM 730 CB ALA A 50 0.532 7.946 6.188 1.00 0.62 C ATOM 0 H ALA A 50 0.072 6.557 4.206 1.00 0.46 H new ATOM 0 HA ALA A 50 2.391 7.806 5.128 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.952 8.483 7.038 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.116 8.660 5.477 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.257 7.278 6.535 1.00 0.62 H new ATOM 736 N ARG A 51 1.719 5.043 6.741 1.00 0.51 N ATOM 737 CA ARG A 51 2.235 4.029 7.672 1.00 0.54 C ATOM 738 C ARG A 51 3.588 3.503 7.160 1.00 0.50 C ATOM 739 O ARG A 51 4.513 3.235 7.929 1.00 0.61 O ATOM 740 CB ARG A 51 1.162 2.901 7.793 1.00 0.62 C ATOM 741 CG ARG A 51 1.403 1.737 8.788 1.00 0.87 C ATOM 742 CD ARG A 51 2.422 0.716 8.291 1.00 1.36 C ATOM 743 NE ARG A 51 2.420 -0.504 9.104 1.00 2.18 N ATOM 744 CZ ARG A 51 3.183 -1.595 8.885 1.00 3.05 C ATOM 745 NH1 ARG A 51 4.119 -1.607 7.908 1.00 3.48 N ATOM 746 NH2 ARG A 51 2.990 -2.674 9.625 1.00 3.91 N ATOM 0 H ARG A 51 0.854 4.767 6.276 1.00 0.51 H new ATOM 0 HA ARG A 51 2.413 4.447 8.663 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.217 3.373 8.062 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.030 2.465 6.803 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.744 2.146 9.739 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.457 1.231 8.980 1.00 0.87 H new ATOM 0 HD2 ARG A 51 2.203 0.461 7.254 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.417 1.160 8.307 1.00 1.36 H new ATOM 0 HE ARG A 51 1.788 -0.530 9.904 1.00 2.18 H new ATOM 0 HH11 ARG A 51 4.256 -0.783 7.323 1.00 3.48 H new ATOM 0 HH12 ARG A 51 4.687 -2.440 7.756 1.00 3.48 H new ATOM 0 HH21 ARG A 51 2.272 -2.674 10.350 1.00 3.91 H new ATOM 0 HH22 ARG A 51 3.559 -3.506 9.471 1.00 3.91 H new ATOM 760 N LEU A 52 3.699 3.410 5.866 1.00 0.41 N ATOM 761 CA LEU A 52 4.887 2.887 5.226 1.00 0.39 C ATOM 762 C LEU A 52 5.955 3.970 5.091 1.00 0.36 C ATOM 763 O LEU A 52 7.135 3.738 5.406 1.00 0.38 O ATOM 764 CB LEU A 52 4.503 2.319 3.863 1.00 0.36 C ATOM 765 CG LEU A 52 3.380 1.280 3.896 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.023 0.815 2.501 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.764 0.105 4.783 1.00 0.48 C ATOM 0 H LEU A 52 2.967 3.695 5.215 1.00 0.41 H new ATOM 0 HA LEU A 52 5.312 2.093 5.840 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.200 3.141 3.214 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.386 1.866 3.412 1.00 0.36 H new ATOM 0 HG LEU A 52 2.495 1.753 4.321 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.222 0.077 2.557 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.691 1.667 1.907 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.898 0.365 2.032 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.953 -0.623 4.794 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.668 -0.364 4.394 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.947 0.459 5.797 1.00 0.48 H new ATOM 779 N GLU A 53 5.529 5.156 4.657 1.00 0.35 N ATOM 780 CA GLU A 53 6.403 6.323 4.459 1.00 0.37 C ATOM 781 C GLU A 53 7.199 6.618 5.717 1.00 0.41 C ATOM 782 O GLU A 53 8.407 6.830 5.654 1.00 0.45 O ATOM 783 CB GLU A 53 5.572 7.567 4.099 1.00 0.40 C ATOM 784 CG GLU A 53 4.787 7.483 2.798 1.00 0.44 C ATOM 785 CD GLU A 53 3.940 8.720 2.565 1.00 0.56 C ATOM 786 OE1 GLU A 53 2.774 8.731 2.986 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.415 9.681 1.919 1.00 0.65 O ATOM 0 H GLU A 53 4.552 5.341 4.428 1.00 0.35 H new ATOM 0 HA GLU A 53 7.085 6.088 3.642 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.872 7.762 4.912 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.242 8.425 4.043 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.478 7.355 1.965 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.145 6.602 2.818 1.00 0.44 H new ATOM 794 N SER A 54 6.516 6.576 6.850 1.00 0.45 N ATOM 795 CA SER A 54 7.110 6.885 8.139 1.00 0.54 C ATOM 796 C SER A 54 8.258 5.923 8.508 1.00 0.52 C ATOM 797 O SER A 54 9.303 6.353 8.983 1.00 0.62 O ATOM 798 CB SER A 54 6.029 6.876 9.225 1.00 0.69 C ATOM 799 OG SER A 54 4.977 7.799 8.912 1.00 1.38 O ATOM 0 H SER A 54 5.529 6.325 6.900 1.00 0.45 H new ATOM 0 HA SER A 54 7.548 7.881 8.067 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.618 5.871 9.325 1.00 0.69 H new ATOM 0 HB3 SER A 54 6.472 7.137 10.186 1.00 0.69 H new ATOM 0 HG SER A 54 4.292 7.346 8.377 1.00 1.38 H new ATOM 805 N ARG A 55 8.079 4.637 8.245 1.00 0.53 N ATOM 806 CA ARG A 55 9.081 3.653 8.641 1.00 0.62 C ATOM 807 C ARG A 55 10.253 3.621 7.665 1.00 0.57 C ATOM 808 O ARG A 55 11.425 3.652 8.062 1.00 0.68 O ATOM 809 CB ARG A 55 8.481 2.242 8.720 1.00 0.78 C ATOM 810 CG ARG A 55 9.499 1.199 9.177 1.00 0.95 C ATOM 811 CD ARG A 55 9.010 -0.221 9.013 1.00 1.19 C ATOM 812 NE ARG A 55 7.827 -0.540 9.820 1.00 1.42 N ATOM 813 CZ ARG A 55 7.128 -1.678 9.690 1.00 1.79 C ATOM 814 NH1 ARG A 55 7.505 -2.577 8.799 1.00 1.97 N ATOM 815 NH2 ARG A 55 6.057 -1.914 10.444 1.00 2.41 N ATOM 0 H ARG A 55 7.264 4.253 7.767 1.00 0.53 H new ATOM 0 HA ARG A 55 9.435 3.957 9.626 1.00 0.62 H new ATOM 0 HB2 ARG A 55 7.637 2.248 9.409 1.00 0.78 H new ATOM 0 HB3 ARG A 55 8.092 1.961 7.742 1.00 0.78 H new ATOM 0 HG2 ARG A 55 10.421 1.327 8.609 1.00 0.95 H new ATOM 0 HG3 ARG A 55 9.743 1.374 10.225 1.00 0.95 H new ATOM 0 HD2 ARG A 55 8.779 -0.396 7.962 1.00 1.19 H new ATOM 0 HD3 ARG A 55 9.815 -0.905 9.280 1.00 1.19 H new ATOM 0 HE ARG A 55 7.520 0.139 10.516 1.00 1.42 H new ATOM 0 HH11 ARG A 55 8.323 -2.404 8.215 1.00 1.97 H new ATOM 0 HH12 ARG A 55 6.978 -3.444 8.695 1.00 1.97 H new ATOM 0 HH21 ARG A 55 5.757 -1.225 11.133 1.00 2.41 H new ATOM 0 HH22 ARG A 55 5.537 -2.784 10.333 1.00 2.41 H new ATOM 829 N TYR A 56 9.932 3.564 6.395 1.00 0.49 N ATOM 830 CA TYR A 56 10.934 3.349 5.366 1.00 0.54 C ATOM 831 C TYR A 56 11.602 4.637 4.909 1.00 0.53 C ATOM 832 O TYR A 56 12.637 4.600 4.236 1.00 0.71 O ATOM 833 CB TYR A 56 10.334 2.551 4.197 1.00 0.57 C ATOM 834 CG TYR A 56 9.824 1.184 4.634 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.686 0.101 4.723 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.492 0.989 4.992 1.00 0.66 C ATOM 837 CE1 TYR A 56 10.240 -1.135 5.157 1.00 1.09 C ATOM 838 CE2 TYR A 56 8.036 -0.241 5.418 1.00 0.82 C ATOM 839 CZ TYR A 56 8.914 -1.300 5.500 1.00 1.02 C ATOM 840 OH TYR A 56 8.475 -2.523 5.962 1.00 1.20 O ATOM 0 H TYR A 56 8.980 3.664 6.043 1.00 0.49 H new ATOM 0 HA TYR A 56 11.735 2.755 5.806 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.515 3.118 3.755 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.089 2.424 3.421 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.723 0.225 4.449 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.802 1.818 4.935 1.00 0.66 H new ATOM 0 HE1 TYR A 56 10.926 -1.966 5.227 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.998 -0.373 5.685 1.00 0.82 H new ATOM 0 HH TYR A 56 7.495 -2.534 5.979 1.00 1.20 H new ATOM 850 N GLY A 57 11.032 5.758 5.287 1.00 0.44 N ATOM 851 CA GLY A 57 11.615 7.030 4.959 1.00 0.45 C ATOM 852 C GLY A 57 11.402 7.398 3.516 1.00 0.45 C ATOM 853 O GLY A 57 12.364 7.652 2.779 1.00 0.60 O ATOM 0 H GLY A 57 10.165 5.811 5.822 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.182 7.801 5.596 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.684 7.003 5.171 1.00 0.45 H new ATOM 857 N VAL A 58 10.154 7.415 3.100 1.00 0.37 N ATOM 858 CA VAL A 58 9.808 7.756 1.736 1.00 0.39 C ATOM 859 C VAL A 58 8.648 8.746 1.746 1.00 0.40 C ATOM 860 O VAL A 58 8.238 9.200 2.812 1.00 0.42 O ATOM 861 CB VAL A 58 9.445 6.504 0.851 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.577 5.499 0.823 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.167 5.825 1.324 1.00 0.38 C ATOM 0 H VAL A 58 9.354 7.194 3.693 1.00 0.37 H new ATOM 0 HA VAL A 58 10.692 8.204 1.281 1.00 0.39 H new ATOM 0 HB VAL A 58 9.281 6.877 -0.160 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.293 4.648 0.204 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.469 5.968 0.408 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.785 5.157 1.837 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.953 4.967 0.686 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.293 5.490 2.354 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.339 6.531 1.271 1.00 0.38 H new ATOM 873 N SER A 59 8.132 9.078 0.590 1.00 0.46 N ATOM 874 CA SER A 59 6.988 9.953 0.469 1.00 0.56 C ATOM 875 C SER A 59 6.259 9.637 -0.826 1.00 0.54 C ATOM 876 O SER A 59 6.895 9.514 -1.883 1.00 0.61 O ATOM 877 CB SER A 59 7.412 11.435 0.504 1.00 0.79 C ATOM 878 OG SER A 59 8.086 11.744 1.727 1.00 1.33 O ATOM 0 H SER A 59 8.496 8.747 -0.304 1.00 0.46 H new ATOM 0 HA SER A 59 6.322 9.785 1.316 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.066 11.650 -0.341 1.00 0.79 H new ATOM 0 HB3 SER A 59 6.534 12.071 0.397 1.00 0.79 H new ATOM 0 HG SER A 59 8.347 12.689 1.727 1.00 1.33 H new ATOM 884 N ILE A 60 4.966 9.453 -0.744 1.00 0.48 N ATOM 885 CA ILE A 60 4.168 9.151 -1.909 1.00 0.46 C ATOM 886 C ILE A 60 3.052 10.184 -2.049 1.00 0.50 C ATOM 887 O ILE A 60 2.296 10.426 -1.103 1.00 0.58 O ATOM 888 CB ILE A 60 3.545 7.711 -1.864 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.639 6.639 -1.729 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.735 7.447 -3.135 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.097 5.225 -1.648 1.00 1.13 C ATOM 0 H ILE A 60 4.437 9.507 0.126 1.00 0.48 H new ATOM 0 HA ILE A 60 4.834 9.188 -2.771 1.00 0.46 H new ATOM 0 HB ILE A 60 2.892 7.657 -0.993 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.315 6.712 -2.581 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.229 6.845 -0.836 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.308 6.445 -3.093 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.933 8.181 -3.214 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.387 7.527 -4.005 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.925 4.523 -1.554 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.444 5.135 -0.780 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.531 5.000 -2.552 1.00 1.13 H new ATOM 903 N PRO A 61 2.967 10.851 -3.209 1.00 0.52 N ATOM 904 CA PRO A 61 1.904 11.812 -3.490 1.00 0.58 C ATOM 905 C PRO A 61 0.534 11.126 -3.557 1.00 0.52 C ATOM 906 O PRO A 61 0.415 9.992 -4.053 1.00 0.45 O ATOM 907 CB PRO A 61 2.286 12.392 -4.862 1.00 0.63 C ATOM 908 CG PRO A 61 3.725 12.054 -5.032 1.00 0.65 C ATOM 909 CD PRO A 61 3.916 10.750 -4.329 1.00 0.56 C ATOM 0 HA PRO A 61 1.817 12.572 -2.714 1.00 0.58 H new ATOM 0 HB2 PRO A 61 1.681 11.957 -5.657 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.127 13.470 -4.894 1.00 0.63 H new ATOM 0 HG2 PRO A 61 3.987 11.973 -6.087 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.363 12.827 -4.604 1.00 0.65 H new ATOM 0 HD2 PRO A 61 3.691 9.903 -4.977 1.00 0.56 H new ATOM 0 HD3 PRO A 61 4.941 10.622 -3.982 1.00 0.56 H new ATOM 917 N ASP A 62 -0.478 11.821 -3.080 1.00 0.64 N ATOM 918 CA ASP A 62 -1.859 11.316 -2.992 1.00 0.72 C ATOM 919 C ASP A 62 -2.394 10.814 -4.335 1.00 0.61 C ATOM 920 O ASP A 62 -3.041 9.760 -4.392 1.00 0.65 O ATOM 921 CB ASP A 62 -2.798 12.390 -2.397 1.00 1.00 C ATOM 922 CG ASP A 62 -2.859 13.662 -3.223 1.00 1.28 C ATOM 923 OD1 ASP A 62 -1.860 14.424 -3.243 1.00 1.40 O ATOM 924 OD2 ASP A 62 -3.886 13.930 -3.857 1.00 1.97 O ATOM 0 H ASP A 62 -0.376 12.774 -2.732 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.835 10.456 -2.323 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.802 11.975 -2.308 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.464 12.636 -1.389 1.00 1.00 H new ATOM 929 N ASP A 63 -2.072 11.523 -5.417 1.00 0.57 N ATOM 930 CA ASP A 63 -2.526 11.123 -6.758 1.00 0.62 C ATOM 931 C ASP A 63 -1.909 9.814 -7.180 1.00 0.52 C ATOM 932 O ASP A 63 -2.559 8.999 -7.793 1.00 0.65 O ATOM 933 CB ASP A 63 -2.247 12.190 -7.838 1.00 0.78 C ATOM 934 CG ASP A 63 -3.117 13.416 -7.727 1.00 1.29 C ATOM 935 OD1 ASP A 63 -4.322 13.333 -8.036 1.00 1.94 O ATOM 936 OD2 ASP A 63 -2.613 14.487 -7.338 1.00 1.87 O ATOM 0 H ASP A 63 -1.504 12.370 -5.397 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.607 11.009 -6.676 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.202 12.492 -7.775 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.391 11.743 -8.822 1.00 0.78 H new ATOM 941 N VAL A 64 -0.662 9.625 -6.822 1.00 0.42 N ATOM 942 CA VAL A 64 0.091 8.434 -7.158 1.00 0.39 C ATOM 943 C VAL A 64 -0.371 7.258 -6.293 1.00 0.33 C ATOM 944 O VAL A 64 -0.463 6.124 -6.765 1.00 0.37 O ATOM 945 CB VAL A 64 1.611 8.671 -6.970 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.417 7.468 -7.428 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.052 9.919 -7.714 1.00 0.56 C ATOM 0 H VAL A 64 -0.130 10.305 -6.279 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.091 8.198 -8.206 1.00 0.39 H new ATOM 0 HB VAL A 64 1.797 8.815 -5.906 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.479 7.665 -7.283 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.128 6.593 -6.846 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.223 7.281 -8.484 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.122 10.069 -7.570 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.841 9.802 -8.777 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.510 10.783 -7.329 1.00 0.56 H new ATOM 957 N ALA A 65 -0.671 7.534 -5.036 1.00 0.35 N ATOM 958 CA ALA A 65 -1.184 6.521 -4.131 1.00 0.38 C ATOM 959 C ALA A 65 -2.508 5.995 -4.649 1.00 0.43 C ATOM 960 O ALA A 65 -2.692 4.803 -4.793 1.00 0.47 O ATOM 961 CB ALA A 65 -1.352 7.089 -2.736 1.00 0.44 C ATOM 0 H ALA A 65 -0.567 8.458 -4.617 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.469 5.699 -4.081 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.737 6.315 -2.072 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.388 7.437 -2.366 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.052 7.924 -2.765 1.00 0.44 H new ATOM 967 N GLY A 66 -3.404 6.908 -5.001 1.00 0.49 N ATOM 968 CA GLY A 66 -4.704 6.518 -5.528 1.00 0.59 C ATOM 969 C GLY A 66 -4.638 6.167 -7.009 1.00 0.53 C ATOM 970 O GLY A 66 -5.668 5.973 -7.658 1.00 0.69 O ATOM 0 H GLY A 66 -3.256 7.915 -4.932 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.080 5.661 -4.969 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.414 7.331 -5.380 1.00 0.59 H new ATOM 974 N ARG A 67 -3.429 6.088 -7.538 1.00 0.45 N ATOM 975 CA ARG A 67 -3.193 5.757 -8.921 1.00 0.45 C ATOM 976 C ARG A 67 -2.913 4.262 -9.064 1.00 0.39 C ATOM 977 O ARG A 67 -3.063 3.692 -10.151 1.00 0.51 O ATOM 978 CB ARG A 67 -1.979 6.534 -9.457 1.00 0.56 C ATOM 979 CG ARG A 67 -1.708 6.276 -10.901 1.00 1.08 C ATOM 980 CD ARG A 67 -0.377 6.799 -11.362 1.00 1.48 C ATOM 981 NE ARG A 67 -0.099 6.306 -12.715 1.00 2.15 N ATOM 982 CZ ARG A 67 1.001 6.530 -13.429 1.00 2.93 C ATOM 983 NH1 ARG A 67 1.974 7.299 -12.965 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.116 5.963 -14.616 1.00 3.83 N ATOM 0 H ARG A 67 -2.575 6.256 -7.006 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.083 6.025 -9.490 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -2.145 7.601 -9.310 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.098 6.265 -8.875 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -1.751 5.202 -11.085 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.496 6.734 -11.498 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -0.380 7.889 -11.354 1.00 1.48 H new ATOM 0 HD3 ARG A 67 0.409 6.478 -10.678 1.00 1.48 H new ATOM 0 HE ARG A 67 -0.821 5.734 -13.152 1.00 2.15 H new ATOM 0 HH11 ARG A 67 1.888 7.731 -12.045 1.00 3.24 H new ATOM 0 HH12 ARG A 67 2.810 7.459 -13.527 1.00 3.24 H new ATOM 0 HH21 ARG A 67 0.369 5.366 -14.970 1.00 3.83 H new ATOM 0 HH22 ARG A 67 1.952 6.123 -15.179 1.00 3.83 H new ATOM 998 N VAL A 68 -2.569 3.612 -7.971 1.00 0.35 N ATOM 999 CA VAL A 68 -2.160 2.235 -8.074 1.00 0.34 C ATOM 1000 C VAL A 68 -3.350 1.300 -8.217 1.00 0.39 C ATOM 1001 O VAL A 68 -4.454 1.607 -7.766 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.159 1.785 -6.961 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.086 2.645 -7.014 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.753 1.827 -5.572 1.00 0.36 C ATOM 0 H VAL A 68 -2.565 4.004 -7.029 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.588 2.164 -8.999 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.910 0.743 -7.164 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.781 2.328 -6.236 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.560 2.539 -7.990 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.186 3.688 -6.854 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.006 1.503 -4.847 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.065 2.845 -5.341 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.616 1.163 -5.525 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.126 0.186 -8.876 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.209 -0.738 -9.217 1.00 0.49 C ATOM 1016 C ASP A 69 -4.219 -1.896 -8.253 1.00 0.40 C ATOM 1017 O ASP A 69 -5.218 -2.178 -7.571 1.00 0.39 O ATOM 1018 CB ASP A 69 -3.984 -1.289 -10.630 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.213 -1.913 -11.228 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -6.026 -1.213 -11.838 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.396 -3.142 -11.072 1.00 0.86 O ATOM 0 H ASP A 69 -2.203 -0.112 -9.192 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.157 -0.203 -9.164 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.644 -0.481 -11.278 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.186 -2.031 -10.600 1.00 0.68 H new ATOM 1026 N THR A 70 -3.105 -2.568 -8.209 1.00 0.38 N ATOM 1027 CA THR A 70 -2.914 -3.698 -7.374 1.00 0.35 C ATOM 1028 C THR A 70 -1.820 -3.368 -6.355 1.00 0.33 C ATOM 1029 O THR A 70 -1.043 -2.415 -6.572 1.00 0.33 O ATOM 1030 CB THR A 70 -2.513 -4.919 -8.251 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.305 -4.632 -8.977 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.613 -5.214 -9.256 1.00 0.47 C ATOM 0 H THR A 70 -2.288 -2.331 -8.772 1.00 0.38 H new ATOM 0 HA THR A 70 -3.831 -3.947 -6.841 1.00 0.35 H new ATOM 0 HB THR A 70 -2.359 -5.777 -7.597 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.147 -5.336 -9.640 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.327 -6.070 -9.868 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.539 -5.439 -8.727 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.764 -4.345 -9.896 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.747 -4.101 -5.226 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.744 -3.876 -4.178 1.00 0.33 C ATOM 1042 C PRO A 71 0.688 -3.814 -4.705 1.00 0.29 C ATOM 1043 O PRO A 71 1.495 -3.045 -4.188 1.00 0.28 O ATOM 1044 CB PRO A 71 -0.918 -5.084 -3.260 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.347 -5.437 -3.405 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.675 -5.186 -4.847 1.00 0.39 C ATOM 0 HA PRO A 71 -0.894 -2.913 -3.690 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.270 -5.909 -3.558 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.669 -4.840 -2.227 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.523 -6.479 -3.138 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -2.970 -4.830 -2.749 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.521 -6.077 -5.455 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.716 -4.888 -4.976 1.00 0.39 H new ATOM 1054 N ARG A 72 0.992 -4.579 -5.766 1.00 0.31 N ATOM 1055 CA ARG A 72 2.359 -4.610 -6.302 1.00 0.31 C ATOM 1056 C ARG A 72 2.782 -3.246 -6.863 1.00 0.29 C ATOM 1057 O ARG A 72 3.952 -2.892 -6.824 1.00 0.31 O ATOM 1058 CB ARG A 72 2.563 -5.718 -7.342 1.00 0.36 C ATOM 1059 CG ARG A 72 1.829 -5.539 -8.666 1.00 0.48 C ATOM 1060 CD ARG A 72 2.197 -6.649 -9.647 1.00 0.58 C ATOM 1061 NE ARG A 72 1.711 -7.973 -9.211 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.473 -8.944 -8.649 1.00 1.40 C ATOM 1063 NH1 ARG A 72 3.750 -8.730 -8.352 1.00 1.35 N ATOM 1064 NH2 ARG A 72 1.954 -10.135 -8.405 1.00 2.47 N ATOM 0 H ARG A 72 0.325 -5.172 -6.260 1.00 0.31 H new ATOM 0 HA ARG A 72 3.008 -4.843 -5.458 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.630 -5.801 -7.550 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.249 -6.664 -6.901 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.753 -5.543 -8.493 1.00 0.48 H new ATOM 0 HG3 ARG A 72 2.079 -4.570 -9.097 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.779 -6.417 -10.627 1.00 0.58 H new ATOM 0 HD3 ARG A 72 3.280 -6.683 -9.762 1.00 0.58 H new ATOM 0 HE ARG A 72 0.720 -8.174 -9.343 1.00 1.01 H new ATOM 0 HH11 ARG A 72 4.174 -7.823 -8.546 1.00 1.35 H new ATOM 0 HH12 ARG A 72 4.307 -9.473 -7.930 1.00 1.35 H new ATOM 0 HH21 ARG A 72 0.980 -10.324 -8.639 1.00 2.47 H new ATOM 0 HH22 ARG A 72 2.528 -10.865 -7.982 1.00 2.47 H new ATOM 1078 N GLU A 73 1.808 -2.472 -7.327 1.00 0.28 N ATOM 1079 CA GLU A 73 2.061 -1.131 -7.822 1.00 0.28 C ATOM 1080 C GLU A 73 2.559 -0.254 -6.678 1.00 0.25 C ATOM 1081 O GLU A 73 3.535 0.490 -6.823 1.00 0.25 O ATOM 1082 CB GLU A 73 0.783 -0.544 -8.413 1.00 0.33 C ATOM 1083 CG GLU A 73 0.315 -1.200 -9.694 1.00 0.45 C ATOM 1084 CD GLU A 73 1.259 -0.928 -10.828 1.00 1.15 C ATOM 1085 OE1 GLU A 73 2.210 -1.684 -11.020 1.00 2.06 O ATOM 1086 OE2 GLU A 73 1.070 0.074 -11.539 1.00 1.24 O ATOM 0 H GLU A 73 0.829 -2.756 -7.369 1.00 0.28 H new ATOM 0 HA GLU A 73 2.821 -1.171 -8.602 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.012 -0.620 -7.671 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.941 0.518 -8.602 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.228 -2.276 -9.542 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.679 -0.832 -9.950 1.00 0.45 H new ATOM 1093 N LEU A 74 1.898 -0.397 -5.537 1.00 0.27 N ATOM 1094 CA LEU A 74 2.225 0.335 -4.328 1.00 0.27 C ATOM 1095 C LEU A 74 3.619 -0.125 -3.829 1.00 0.25 C ATOM 1096 O LEU A 74 4.453 0.694 -3.442 1.00 0.25 O ATOM 1097 CB LEU A 74 1.092 0.098 -3.277 1.00 0.30 C ATOM 1098 CG LEU A 74 1.107 0.900 -1.946 1.00 0.34 C ATOM 1099 CD1 LEU A 74 2.203 0.442 -1.009 1.00 0.98 C ATOM 1100 CD2 LEU A 74 1.226 2.396 -2.212 1.00 1.00 C ATOM 0 H LEU A 74 1.109 -1.034 -5.427 1.00 0.27 H new ATOM 0 HA LEU A 74 2.282 1.408 -4.509 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.141 0.300 -3.770 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.100 -0.961 -3.021 1.00 0.30 H new ATOM 0 HG LEU A 74 0.155 0.705 -1.452 1.00 0.34 H new ATOM 0 HD11 LEU A 74 2.170 1.034 -0.094 1.00 0.98 H new ATOM 0 HD12 LEU A 74 2.058 -0.611 -0.766 1.00 0.98 H new ATOM 0 HD13 LEU A 74 3.172 0.572 -1.491 1.00 0.98 H new ATOM 0 HD21 LEU A 74 1.234 2.935 -1.264 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.151 2.597 -2.752 1.00 1.00 H new ATOM 0 HD23 LEU A 74 0.378 2.728 -2.810 1.00 1.00 H new ATOM 1112 N LEU A 75 3.850 -1.442 -3.873 1.00 0.29 N ATOM 1113 CA LEU A 75 5.146 -2.052 -3.511 1.00 0.34 C ATOM 1114 C LEU A 75 6.267 -1.447 -4.297 1.00 0.29 C ATOM 1115 O LEU A 75 7.265 -1.003 -3.739 1.00 0.30 O ATOM 1116 CB LEU A 75 5.145 -3.546 -3.821 1.00 0.49 C ATOM 1117 CG LEU A 75 4.874 -4.510 -2.688 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.957 -4.422 -1.630 1.00 0.43 C ATOM 1119 CD2 LEU A 75 3.517 -4.300 -2.083 1.00 0.90 C ATOM 0 H LEU A 75 3.145 -2.121 -4.161 1.00 0.29 H new ATOM 0 HA LEU A 75 5.287 -1.874 -2.445 1.00 0.34 H new ATOM 0 HB2 LEU A 75 4.400 -3.725 -4.596 1.00 0.49 H new ATOM 0 HB3 LEU A 75 6.116 -3.798 -4.248 1.00 0.49 H new ATOM 0 HG LEU A 75 4.887 -5.515 -3.111 1.00 0.42 H new ATOM 0 HD11 LEU A 75 5.739 -5.125 -0.826 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.921 -4.668 -2.075 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.991 -3.410 -1.227 1.00 0.43 H new ATOM 0 HD21 LEU A 75 3.365 -5.014 -1.273 1.00 0.90 H new ATOM 0 HD22 LEU A 75 3.447 -3.286 -1.690 1.00 0.90 H new ATOM 0 HD23 LEU A 75 2.752 -4.448 -2.845 1.00 0.90 H new ATOM 1131 N ASP A 76 6.078 -1.431 -5.591 1.00 0.29 N ATOM 1132 CA ASP A 76 7.064 -0.934 -6.548 1.00 0.33 C ATOM 1133 C ASP A 76 7.381 0.519 -6.290 1.00 0.29 C ATOM 1134 O ASP A 76 8.534 0.941 -6.397 1.00 0.33 O ATOM 1135 CB ASP A 76 6.583 -1.151 -7.987 1.00 0.40 C ATOM 1136 CG ASP A 76 7.530 -0.586 -9.026 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.631 -1.162 -9.199 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.191 0.432 -9.679 1.00 0.63 O ATOM 0 H ASP A 76 5.221 -1.767 -6.030 1.00 0.29 H new ATOM 0 HA ASP A 76 7.984 -1.502 -6.414 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.456 -2.219 -8.163 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.603 -0.689 -8.109 1.00 0.40 H new ATOM 1143 N LEU A 77 6.363 1.278 -5.913 1.00 0.25 N ATOM 1144 CA LEU A 77 6.535 2.680 -5.543 1.00 0.25 C ATOM 1145 C LEU A 77 7.494 2.798 -4.363 1.00 0.26 C ATOM 1146 O LEU A 77 8.484 3.543 -4.411 1.00 0.32 O ATOM 1147 CB LEU A 77 5.199 3.294 -5.164 1.00 0.26 C ATOM 1148 CG LEU A 77 4.198 3.541 -6.280 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.939 4.158 -5.705 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.797 4.447 -7.344 1.00 0.38 C ATOM 0 H LEU A 77 5.401 0.945 -5.854 1.00 0.25 H new ATOM 0 HA LEU A 77 6.946 3.213 -6.401 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.727 2.644 -4.427 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.394 4.246 -4.671 1.00 0.26 H new ATOM 0 HG LEU A 77 3.947 2.590 -6.749 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.222 4.335 -6.506 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.504 3.480 -4.971 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.185 5.104 -5.223 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.065 4.612 -8.135 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.070 5.403 -6.896 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.686 3.976 -7.764 1.00 0.38 H new ATOM 1162 N ILE A 78 7.202 2.035 -3.322 1.00 0.25 N ATOM 1163 CA ILE A 78 8.021 1.996 -2.124 1.00 0.29 C ATOM 1164 C ILE A 78 9.431 1.532 -2.481 1.00 0.34 C ATOM 1165 O ILE A 78 10.390 2.232 -2.238 1.00 0.40 O ATOM 1166 CB ILE A 78 7.416 1.024 -1.076 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.026 1.508 -0.617 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.358 0.861 0.126 1.00 0.43 C ATOM 1169 CD1 ILE A 78 6.041 2.824 0.139 1.00 0.46 C ATOM 0 H ILE A 78 6.387 1.423 -3.285 1.00 0.25 H new ATOM 0 HA ILE A 78 8.055 2.999 -1.698 1.00 0.29 H new ATOM 0 HB ILE A 78 7.297 0.049 -1.549 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.383 1.612 -1.491 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.579 0.743 0.018 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.913 0.175 0.847 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.314 0.461 -0.212 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.517 1.831 0.598 1.00 0.43 H new ATOM 0 HD11 ILE A 78 5.024 3.091 0.425 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.654 2.722 1.034 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.456 3.605 -0.498 1.00 0.46 H new ATOM 1181 N ASN A 79 9.515 0.344 -3.078 1.00 0.37 N ATOM 1182 CA ASN A 79 10.783 -0.314 -3.460 1.00 0.46 C ATOM 1183 C ASN A 79 11.696 0.616 -4.244 1.00 0.40 C ATOM 1184 O ASN A 79 12.899 0.697 -3.960 1.00 0.45 O ATOM 1185 CB ASN A 79 10.513 -1.591 -4.284 1.00 0.62 C ATOM 1186 CG ASN A 79 10.074 -2.824 -3.476 1.00 0.84 C ATOM 1187 OD1 ASN A 79 9.536 -2.638 -2.287 1.00 1.89 O flip ATOM 1188 ND2 ASN A 79 10.265 -3.955 -3.925 1.00 0.56 N flip ATOM 0 H ASN A 79 8.691 -0.207 -3.319 1.00 0.37 H new ATOM 0 HA ASN A 79 11.289 -0.583 -2.533 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.742 -1.369 -5.022 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.419 -1.844 -4.835 1.00 0.62 H new ATOM 0 HD21 ASN A 79 10.683 -4.073 -4.848 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.005 -4.773 -3.374 1.00 0.56 H new ATOM 1195 N GLY A 80 11.124 1.335 -5.194 1.00 0.38 N ATOM 1196 CA GLY A 80 11.887 2.263 -6.005 1.00 0.41 C ATOM 1197 C GLY A 80 12.439 3.432 -5.205 1.00 0.45 C ATOM 1198 O GLY A 80 13.619 3.771 -5.323 1.00 0.55 O ATOM 0 H GLY A 80 10.131 1.293 -5.422 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.712 1.731 -6.478 1.00 0.41 H new ATOM 0 HA3 GLY A 80 11.253 2.644 -6.806 1.00 0.41 H new ATOM 1202 N ALA A 81 11.604 4.033 -4.378 1.00 0.44 N ATOM 1203 CA ALA A 81 12.010 5.181 -3.569 1.00 0.51 C ATOM 1204 C ALA A 81 12.969 4.767 -2.446 1.00 0.54 C ATOM 1205 O ALA A 81 13.970 5.435 -2.173 1.00 0.69 O ATOM 1206 CB ALA A 81 10.785 5.867 -2.984 1.00 0.52 C ATOM 0 H ALA A 81 10.634 3.748 -4.244 1.00 0.44 H new ATOM 0 HA ALA A 81 12.538 5.878 -4.219 1.00 0.51 H new ATOM 0 HB1 ALA A 81 11.098 6.721 -2.383 1.00 0.52 H new ATOM 0 HB2 ALA A 81 10.139 6.210 -3.792 1.00 0.52 H new ATOM 0 HB3 ALA A 81 10.238 5.163 -2.357 1.00 0.52 H new ATOM 1212 N LEU A 82 12.675 3.643 -1.848 1.00 0.44 N ATOM 1213 CA LEU A 82 13.399 3.112 -0.726 1.00 0.50 C ATOM 1214 C LEU A 82 14.817 2.680 -1.103 1.00 0.60 C ATOM 1215 O LEU A 82 15.743 2.813 -0.300 1.00 0.70 O ATOM 1216 CB LEU A 82 12.577 1.961 -0.148 1.00 0.48 C ATOM 1217 CG LEU A 82 13.159 1.165 0.991 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.508 2.064 2.166 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.170 0.098 1.407 1.00 0.66 C ATOM 0 H LEU A 82 11.897 3.052 -2.140 1.00 0.44 H new ATOM 0 HA LEU A 82 13.532 3.887 0.029 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.623 2.369 0.186 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.360 1.268 -0.960 1.00 0.48 H new ATOM 0 HG LEU A 82 14.083 0.692 0.658 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.926 1.462 2.973 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.241 2.807 1.851 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.608 2.568 2.518 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.585 -0.482 2.231 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.240 0.568 1.727 1.00 0.66 H new ATOM 0 HD23 LEU A 82 11.971 -0.562 0.563 1.00 0.66 H new ATOM 1231 N ALA A 83 14.989 2.205 -2.330 1.00 0.64 N ATOM 1232 CA ALA A 83 16.304 1.789 -2.808 1.00 0.79 C ATOM 1233 C ALA A 83 17.255 2.989 -2.900 1.00 0.95 C ATOM 1234 O ALA A 83 18.472 2.847 -2.751 1.00 1.13 O ATOM 1235 CB ALA A 83 16.188 1.083 -4.147 1.00 0.86 C ATOM 0 H ALA A 83 14.238 2.098 -3.012 1.00 0.64 H new ATOM 0 HA ALA A 83 16.722 1.084 -2.089 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.179 0.781 -4.486 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.557 0.201 -4.040 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.745 1.760 -4.878 1.00 0.86 H new ATOM 1241 N GLU A 84 16.689 4.163 -3.115 1.00 0.95 N ATOM 1242 CA GLU A 84 17.439 5.377 -3.197 1.00 1.17 C ATOM 1243 C GLU A 84 17.672 5.959 -1.808 1.00 1.25 C ATOM 1244 O GLU A 84 18.790 6.344 -1.459 1.00 1.52 O ATOM 1245 CB GLU A 84 16.669 6.377 -4.038 1.00 1.23 C ATOM 1246 CG GLU A 84 16.447 5.948 -5.470 1.00 1.40 C ATOM 1247 CD GLU A 84 17.740 5.708 -6.197 1.00 1.80 C ATOM 1248 OE1 GLU A 84 18.385 6.694 -6.623 1.00 2.17 O ATOM 1249 OE2 GLU A 84 18.130 4.547 -6.359 1.00 2.47 O ATOM 0 H GLU A 84 15.684 4.288 -3.237 1.00 0.95 H new ATOM 0 HA GLU A 84 18.406 5.166 -3.653 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.701 6.557 -3.571 1.00 1.23 H new ATOM 0 HB3 GLU A 84 17.206 7.326 -4.035 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.849 5.037 -5.486 1.00 1.40 H new ATOM 0 HG3 GLU A 84 15.875 6.715 -5.993 1.00 1.40 H new