USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 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 42 SER OG : rot 180:sc=-0.00574 USER MOD Set 1.2: A 46 MET CE :methyl -167:sc= -1.31 (180deg=-1.91) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0093 USER MOD Single : A 17 SER OG : rot 3:sc= 0.966 USER MOD Single : A 40 TYR OH : rot -149:sc= -0.0195 USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.432 USER MOD Single : A 54 SER OG : rot 81:sc= 0.403 USER MOD Single : A 56 TYR OH : rot -163:sc= 0.487 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 79 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.289 -6.589 -1.590 1.00 0.66 N ATOM 45 CA LEU A 4 11.004 -6.485 -2.169 1.00 0.56 C ATOM 46 C LEU A 4 9.958 -6.812 -1.137 1.00 0.50 C ATOM 47 O LEU A 4 10.253 -7.453 -0.120 1.00 0.76 O ATOM 48 CB LEU A 4 10.889 -7.457 -3.329 1.00 0.65 C ATOM 49 CG LEU A 4 11.865 -7.281 -4.466 1.00 0.79 C ATOM 50 CD1 LEU A 4 11.623 -8.330 -5.535 1.00 0.96 C ATOM 51 CD2 LEU A 4 11.794 -5.878 -5.051 1.00 0.86 C ATOM 0 HA LEU A 4 10.853 -5.468 -2.530 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.003 -8.468 -2.937 1.00 0.65 H new ATOM 0 HB3 LEU A 4 9.880 -7.384 -3.734 1.00 0.65 H new ATOM 0 HG LEU A 4 12.872 -7.415 -4.070 1.00 0.79 H new ATOM 0 HD11 LEU A 4 12.334 -8.191 -6.349 1.00 0.96 H new ATOM 0 HD12 LEU A 4 11.753 -9.324 -5.106 1.00 0.96 H new ATOM 0 HD13 LEU A 4 10.608 -8.230 -5.919 1.00 0.96 H new ATOM 0 HD21 LEU A 4 12.511 -5.788 -5.867 1.00 0.86 H new ATOM 0 HD22 LEU A 4 10.789 -5.692 -5.428 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.032 -5.149 -4.277 1.00 0.86 H new ATOM 63 N LEU A 5 8.763 -6.354 -1.368 1.00 0.36 N ATOM 64 CA LEU A 5 7.647 -6.675 -0.527 1.00 0.36 C ATOM 65 C LEU A 5 6.632 -7.349 -1.379 1.00 0.39 C ATOM 66 O LEU A 5 6.422 -6.954 -2.539 1.00 0.52 O ATOM 67 CB LEU A 5 7.035 -5.433 0.118 1.00 0.42 C ATOM 68 CG LEU A 5 7.967 -4.597 0.978 1.00 0.51 C ATOM 69 CD1 LEU A 5 7.210 -3.444 1.596 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.613 -5.443 2.059 1.00 0.54 C ATOM 0 H LEU A 5 8.533 -5.742 -2.151 1.00 0.36 H new ATOM 0 HA LEU A 5 7.983 -7.319 0.286 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.636 -4.798 -0.673 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.191 -5.746 0.732 1.00 0.42 H new ATOM 0 HG LEU A 5 8.757 -4.201 0.341 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.888 -2.851 2.210 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.794 -2.817 0.807 1.00 0.61 H new ATOM 0 HD13 LEU A 5 6.402 -3.830 2.217 1.00 0.61 H new ATOM 0 HD21 LEU A 5 9.275 -4.821 2.661 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.840 -5.872 2.696 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.189 -6.245 1.598 1.00 0.54 H new ATOM 82 N THR A 6 6.011 -8.339 -0.861 1.00 0.36 N ATOM 83 CA THR A 6 5.077 -9.071 -1.619 1.00 0.41 C ATOM 84 C THR A 6 3.657 -8.625 -1.317 1.00 0.30 C ATOM 85 O THR A 6 3.437 -7.644 -0.569 1.00 0.24 O ATOM 86 CB THR A 6 5.238 -10.584 -1.385 1.00 0.56 C ATOM 87 OG1 THR A 6 5.186 -10.862 0.028 1.00 0.59 O ATOM 88 CG2 THR A 6 6.553 -11.090 -1.967 1.00 0.79 C ATOM 0 H THR A 6 6.136 -8.663 0.098 1.00 0.36 H new ATOM 0 HA THR A 6 5.275 -8.870 -2.672 1.00 0.41 H new ATOM 0 HB THR A 6 4.422 -11.102 -1.890 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.287 -11.826 0.176 1.00 0.59 H new ATOM 0 HG21 THR A 6 6.642 -12.162 -1.788 1.00 0.79 H new ATOM 0 HG22 THR A 6 6.574 -10.898 -3.040 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.385 -10.572 -1.490 1.00 0.79 H new ATOM 96 N THR A 7 2.715 -9.333 -1.890 1.00 0.33 N ATOM 97 CA THR A 7 1.306 -9.112 -1.712 1.00 0.32 C ATOM 98 C THR A 7 0.939 -9.156 -0.213 1.00 0.24 C ATOM 99 O THR A 7 0.110 -8.379 0.269 1.00 0.26 O ATOM 100 CB THR A 7 0.575 -10.224 -2.472 1.00 0.44 C ATOM 101 OG1 THR A 7 1.069 -10.271 -3.825 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.917 -10.003 -2.494 1.00 0.55 C ATOM 0 H THR A 7 2.920 -10.110 -2.518 1.00 0.33 H new ATOM 0 HA THR A 7 1.019 -8.131 -2.091 1.00 0.32 H new ATOM 0 HB THR A 7 0.765 -11.166 -1.958 1.00 0.44 H new ATOM 0 HG1 THR A 7 0.607 -10.981 -4.317 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.397 -10.814 -3.042 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.297 -9.981 -1.473 1.00 0.55 H new ATOM 0 HG23 THR A 7 -1.137 -9.054 -2.983 1.00 0.55 H new ATOM 110 N ASP A 8 1.608 -10.044 0.509 1.00 0.28 N ATOM 111 CA ASP A 8 1.331 -10.280 1.913 1.00 0.31 C ATOM 112 C ASP A 8 1.661 -9.082 2.802 1.00 0.24 C ATOM 113 O ASP A 8 0.831 -8.695 3.640 1.00 0.28 O ATOM 114 CB ASP A 8 2.062 -11.512 2.415 1.00 0.46 C ATOM 115 CG ASP A 8 1.680 -11.850 3.834 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.619 -12.482 4.030 1.00 1.01 O ATOM 117 OD2 ASP A 8 2.421 -11.494 4.781 1.00 1.61 O ATOM 0 H ASP A 8 2.360 -10.621 0.133 1.00 0.28 H new ATOM 0 HA ASP A 8 0.255 -10.444 1.980 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.836 -12.358 1.766 1.00 0.46 H new ATOM 0 HB3 ASP A 8 3.138 -11.345 2.358 1.00 0.46 H new ATOM 122 N ASP A 9 2.849 -8.475 2.617 1.00 0.24 N ATOM 123 CA ASP A 9 3.258 -7.340 3.488 1.00 0.28 C ATOM 124 C ASP A 9 2.360 -6.177 3.230 1.00 0.24 C ATOM 125 O ASP A 9 1.884 -5.504 4.165 1.00 0.30 O ATOM 126 CB ASP A 9 4.706 -6.896 3.264 1.00 0.38 C ATOM 127 CG ASP A 9 5.220 -6.118 4.462 1.00 1.05 C ATOM 128 OD1 ASP A 9 5.173 -6.623 5.589 1.00 1.12 O ATOM 129 OD2 ASP A 9 5.699 -4.971 4.287 1.00 1.78 O ATOM 0 H ASP A 9 3.527 -8.734 1.900 1.00 0.24 H new ATOM 0 HA ASP A 9 3.180 -7.689 4.518 1.00 0.28 H new ATOM 0 HB2 ASP A 9 5.337 -7.768 3.093 1.00 0.38 H new ATOM 0 HB3 ASP A 9 4.768 -6.277 2.369 1.00 0.38 H new ATOM 134 N LEU A 10 2.092 -5.972 1.944 1.00 0.19 N ATOM 135 CA LEU A 10 1.197 -4.936 1.499 1.00 0.23 C ATOM 136 C LEU A 10 -0.160 -5.118 2.144 1.00 0.24 C ATOM 137 O LEU A 10 -0.666 -4.196 2.745 1.00 0.30 O ATOM 138 CB LEU A 10 1.043 -4.948 -0.018 1.00 0.27 C ATOM 139 CG LEU A 10 0.141 -3.846 -0.585 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.777 -2.472 -0.397 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.183 -4.109 -2.042 1.00 0.47 C ATOM 0 H LEU A 10 2.495 -6.526 1.188 1.00 0.19 H new ATOM 0 HA LEU A 10 1.622 -3.976 1.793 1.00 0.23 H new ATOM 0 HB2 LEU A 10 2.031 -4.856 -0.469 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.643 -5.916 -0.320 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.797 -3.856 -0.030 1.00 0.38 H new ATOM 0 HD11 LEU A 10 0.118 -1.707 -0.807 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.932 -2.285 0.666 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.736 -2.441 -0.915 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.824 -3.313 -2.422 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.740 -4.138 -2.621 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.699 -5.065 -2.133 1.00 0.47 H new ATOM 153 N ARG A 11 -0.717 -6.339 2.034 1.00 0.24 N ATOM 154 CA ARG A 11 -2.012 -6.687 2.634 1.00 0.30 C ATOM 155 C ARG A 11 -2.072 -6.268 4.093 1.00 0.33 C ATOM 156 O ARG A 11 -2.939 -5.510 4.483 1.00 0.38 O ATOM 157 CB ARG A 11 -2.265 -8.203 2.559 1.00 0.36 C ATOM 158 CG ARG A 11 -3.518 -8.645 3.313 1.00 0.51 C ATOM 159 CD ARG A 11 -3.647 -10.155 3.396 1.00 0.73 C ATOM 160 NE ARG A 11 -2.495 -10.794 4.073 1.00 0.97 N ATOM 161 CZ ARG A 11 -2.572 -11.547 5.194 1.00 1.30 C ATOM 162 NH1 ARG A 11 -3.703 -11.602 5.905 1.00 1.81 N ATOM 163 NH2 ARG A 11 -1.507 -12.224 5.610 1.00 1.98 N ATOM 0 H ARG A 11 -0.280 -7.108 1.527 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.776 -6.155 2.067 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.356 -8.498 1.514 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.401 -8.729 2.965 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.497 -8.230 4.321 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.399 -8.235 2.818 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -4.563 -10.408 3.931 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -3.743 -10.563 2.390 1.00 0.73 H new ATOM 0 HE ARG A 11 -1.572 -10.655 3.662 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -4.521 -11.072 5.604 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -3.748 -12.174 6.749 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -0.634 -12.175 5.084 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -1.562 -12.793 6.455 1.00 1.98 H new ATOM 177 N ARG A 12 -1.121 -6.748 4.864 1.00 0.33 N ATOM 178 CA ARG A 12 -1.062 -6.513 6.301 1.00 0.39 C ATOM 179 C ARG A 12 -1.078 -5.031 6.665 1.00 0.39 C ATOM 180 O ARG A 12 -1.825 -4.613 7.562 1.00 0.48 O ATOM 181 CB ARG A 12 0.135 -7.242 6.878 1.00 0.49 C ATOM 182 CG ARG A 12 -0.072 -8.746 6.906 1.00 0.77 C ATOM 183 CD ARG A 12 1.231 -9.506 6.936 1.00 0.90 C ATOM 184 NE ARG A 12 2.119 -9.126 8.032 1.00 1.28 N ATOM 185 CZ ARG A 12 3.439 -9.338 8.008 1.00 1.77 C ATOM 186 NH1 ARG A 12 3.994 -9.936 6.948 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.204 -8.964 9.030 1.00 2.59 N ATOM 0 H ARG A 12 -0.354 -7.321 4.512 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.969 -6.917 6.751 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.020 -7.009 6.287 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.324 -6.884 7.890 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -0.665 -9.012 7.781 1.00 0.77 H new ATOM 0 HG3 ARG A 12 -0.645 -9.047 6.029 1.00 0.77 H new ATOM 0 HD2 ARG A 12 1.016 -10.572 7.010 1.00 0.90 H new ATOM 0 HD3 ARG A 12 1.751 -9.351 5.991 1.00 0.90 H new ATOM 0 HE ARG A 12 1.713 -8.678 8.854 1.00 1.28 H new ATOM 0 HH11 ARG A 12 3.411 -10.228 6.164 1.00 2.08 H new ATOM 0 HH12 ARG A 12 5.000 -10.100 6.924 1.00 2.08 H new ATOM 0 HH21 ARG A 12 3.785 -8.511 9.842 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.210 -9.130 9.002 1.00 2.59 H new ATOM 201 N ALA A 13 -0.312 -4.239 5.949 1.00 0.35 N ATOM 202 CA ALA A 13 -0.273 -2.809 6.202 1.00 0.41 C ATOM 203 C ALA A 13 -1.521 -2.125 5.662 1.00 0.42 C ATOM 204 O ALA A 13 -2.076 -1.249 6.313 1.00 0.50 O ATOM 205 CB ALA A 13 0.967 -2.194 5.597 1.00 0.48 C ATOM 0 H ALA A 13 0.291 -4.555 5.190 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.243 -2.661 7.281 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.977 -1.123 5.798 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.852 -2.654 6.036 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.968 -2.361 4.520 1.00 0.48 H new ATOM 211 N LEU A 14 -1.989 -2.584 4.507 1.00 0.41 N ATOM 212 CA LEU A 14 -3.145 -2.020 3.845 1.00 0.49 C ATOM 213 C LEU A 14 -4.364 -2.173 4.772 1.00 0.55 C ATOM 214 O LEU A 14 -5.146 -1.227 4.961 1.00 0.72 O ATOM 215 CB LEU A 14 -3.355 -2.790 2.523 1.00 0.51 C ATOM 216 CG LEU A 14 -4.272 -2.181 1.473 1.00 0.52 C ATOM 217 CD1 LEU A 14 -3.687 -0.891 0.924 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.517 -3.163 0.347 1.00 0.92 C ATOM 0 H LEU A 14 -1.568 -3.365 4.004 1.00 0.41 H new ATOM 0 HA LEU A 14 -3.007 -0.961 3.626 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -2.377 -2.938 2.065 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -3.743 -3.778 2.771 1.00 0.51 H new ATOM 0 HG LEU A 14 -5.224 -1.951 1.951 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -4.361 -0.475 0.175 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -3.560 -0.175 1.736 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.719 -1.096 0.467 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -5.175 -2.710 -0.394 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -3.568 -3.424 -0.121 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -4.985 -4.064 0.745 1.00 0.92 H new ATOM 230 N VAL A 15 -4.479 -3.350 5.391 1.00 0.51 N ATOM 231 CA VAL A 15 -5.538 -3.636 6.358 1.00 0.60 C ATOM 232 C VAL A 15 -5.466 -2.652 7.532 1.00 0.58 C ATOM 233 O VAL A 15 -6.395 -1.862 7.754 1.00 0.66 O ATOM 234 CB VAL A 15 -5.418 -5.093 6.935 1.00 0.69 C ATOM 235 CG1 VAL A 15 -6.468 -5.334 8.005 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.581 -6.138 5.856 1.00 0.76 C ATOM 0 H VAL A 15 -3.841 -4.130 5.235 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.487 -3.536 5.830 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.420 -5.180 7.364 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -6.368 -6.348 8.391 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -6.330 -4.621 8.818 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -7.461 -5.206 7.575 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -5.492 -7.132 6.295 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.562 -6.033 5.393 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.807 -6.004 5.100 1.00 0.76 H new ATOM 246 N GLU A 16 -4.363 -2.692 8.269 1.00 0.55 N ATOM 247 CA GLU A 16 -4.247 -1.939 9.503 1.00 0.63 C ATOM 248 C GLU A 16 -4.305 -0.417 9.313 1.00 0.58 C ATOM 249 O GLU A 16 -4.884 0.287 10.147 1.00 0.67 O ATOM 250 CB GLU A 16 -3.079 -2.454 10.389 1.00 0.82 C ATOM 251 CG GLU A 16 -1.673 -2.365 9.816 1.00 1.16 C ATOM 252 CD GLU A 16 -1.047 -1.007 9.937 1.00 1.67 C ATOM 253 OE1 GLU A 16 -0.474 -0.704 10.982 1.00 1.83 O ATOM 254 OE2 GLU A 16 -1.083 -0.243 8.985 1.00 2.43 O ATOM 0 H GLU A 16 -3.537 -3.240 8.030 1.00 0.55 H new ATOM 0 HA GLU A 16 -5.150 -2.140 10.079 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -3.097 -1.897 11.326 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -3.277 -3.497 10.634 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.039 -3.092 10.323 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -1.703 -2.647 8.764 1.00 1.16 H new ATOM 261 N SER A 17 -3.830 0.070 8.183 1.00 0.52 N ATOM 262 CA SER A 17 -3.861 1.493 7.905 1.00 0.62 C ATOM 263 C SER A 17 -5.277 1.953 7.528 1.00 0.70 C ATOM 264 O SER A 17 -5.630 3.123 7.708 1.00 0.94 O ATOM 265 CB SER A 17 -2.875 1.841 6.803 1.00 0.67 C ATOM 266 OG SER A 17 -1.533 1.580 7.197 1.00 1.26 O ATOM 0 H SER A 17 -3.418 -0.498 7.443 1.00 0.52 H new ATOM 0 HA SER A 17 -3.568 2.020 8.813 1.00 0.62 H new ATOM 0 HB2 SER A 17 -3.110 1.264 5.908 1.00 0.67 H new ATOM 0 HB3 SER A 17 -2.979 2.894 6.540 1.00 0.67 H new ATOM 0 HG SER A 17 -1.526 1.188 8.095 1.00 1.26 H new ATOM 412 N PHE A 30 -5.843 -8.959 -5.470 1.00 0.50 N ATOM 413 CA PHE A 30 -6.338 -7.611 -5.240 1.00 0.39 C ATOM 414 C PHE A 30 -5.418 -6.540 -5.831 1.00 0.32 C ATOM 415 O PHE A 30 -5.851 -5.418 -6.025 1.00 0.31 O ATOM 416 CB PHE A 30 -6.606 -7.328 -3.739 1.00 0.39 C ATOM 417 CG PHE A 30 -5.389 -7.343 -2.846 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.885 -8.531 -2.357 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.763 -6.158 -2.485 1.00 0.41 C ATOM 420 CE1 PHE A 30 -3.781 -8.541 -1.534 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.660 -6.164 -1.660 1.00 0.48 C ATOM 422 CZ PHE A 30 -3.169 -7.355 -1.182 1.00 0.53 C ATOM 0 HA PHE A 30 -7.291 -7.556 -5.765 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -7.087 -6.354 -3.651 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -7.315 -8.068 -3.369 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -5.362 -9.463 -2.623 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.146 -5.219 -2.856 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -3.393 -9.478 -1.163 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.182 -5.234 -1.389 1.00 0.48 H new ATOM 0 HZ PHE A 30 -2.306 -7.363 -0.532 1.00 0.53 H new ATOM 432 N LEU A 31 -4.154 -6.889 -6.112 1.00 0.33 N ATOM 433 CA LEU A 31 -3.178 -5.952 -6.683 1.00 0.32 C ATOM 434 C LEU A 31 -3.666 -5.153 -7.880 1.00 0.28 C ATOM 435 O LEU A 31 -3.331 -3.988 -8.009 1.00 0.33 O ATOM 436 CB LEU A 31 -1.859 -6.644 -7.016 1.00 0.41 C ATOM 437 CG LEU A 31 -0.789 -6.594 -5.927 1.00 0.61 C ATOM 438 CD1 LEU A 31 -1.269 -7.194 -4.629 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.499 -7.241 -6.396 1.00 0.98 C ATOM 0 H LEU A 31 -3.782 -7.825 -5.950 1.00 0.33 H new ATOM 0 HA LEU A 31 -3.021 -5.223 -5.888 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.067 -7.689 -7.247 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.452 -6.192 -7.920 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.582 -5.542 -5.729 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.474 -7.136 -3.885 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -2.140 -6.643 -4.273 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.540 -8.237 -4.789 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.242 -7.191 -5.600 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.310 -8.284 -6.651 1.00 0.98 H new ATOM 0 HD23 LEU A 31 0.872 -6.714 -7.275 1.00 0.98 H new ATOM 451 N ASP A 32 -4.446 -5.746 -8.732 1.00 0.32 N ATOM 452 CA ASP A 32 -4.873 -5.050 -9.916 1.00 0.43 C ATOM 453 C ASP A 32 -6.295 -4.550 -9.795 1.00 0.36 C ATOM 454 O ASP A 32 -6.867 -4.061 -10.760 1.00 0.42 O ATOM 455 CB ASP A 32 -4.694 -5.920 -11.149 1.00 0.69 C ATOM 456 CG ASP A 32 -3.247 -6.281 -11.396 1.00 1.22 C ATOM 457 OD1 ASP A 32 -2.472 -5.400 -11.816 1.00 1.74 O ATOM 458 OD2 ASP A 32 -2.845 -7.443 -11.176 1.00 1.99 O ATOM 0 H ASP A 32 -4.798 -6.698 -8.636 1.00 0.32 H new ATOM 0 HA ASP A 32 -4.237 -4.172 -10.027 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -5.279 -6.833 -11.034 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -5.089 -5.396 -12.020 1.00 0.69 H new ATOM 463 N LEU A 33 -6.865 -4.679 -8.620 1.00 0.32 N ATOM 464 CA LEU A 33 -8.206 -4.189 -8.361 1.00 0.33 C ATOM 465 C LEU A 33 -8.138 -2.739 -7.907 1.00 0.31 C ATOM 466 O LEU A 33 -7.195 -2.351 -7.225 1.00 0.45 O ATOM 467 CB LEU A 33 -8.904 -5.061 -7.319 1.00 0.40 C ATOM 468 CG LEU A 33 -9.034 -6.544 -7.689 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.754 -7.302 -6.599 1.00 0.57 C ATOM 470 CD2 LEU A 33 -9.752 -6.711 -9.021 1.00 0.58 C ATOM 0 H LEU A 33 -6.418 -5.124 -7.818 1.00 0.32 H new ATOM 0 HA LEU A 33 -8.792 -4.240 -9.279 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.357 -4.984 -6.379 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.901 -4.659 -7.141 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.030 -6.957 -7.791 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.837 -8.352 -6.880 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -9.195 -7.218 -5.667 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.751 -6.883 -6.462 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -9.832 -7.771 -9.261 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -10.750 -6.278 -8.953 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.189 -6.203 -9.804 1.00 0.58 H new ATOM 482 N ARG A 34 -9.108 -1.938 -8.275 1.00 0.28 N ATOM 483 CA ARG A 34 -9.086 -0.528 -7.917 1.00 0.31 C ATOM 484 C ARG A 34 -9.485 -0.290 -6.467 1.00 0.29 C ATOM 485 O ARG A 34 -10.427 -0.923 -5.951 1.00 0.34 O ATOM 486 CB ARG A 34 -9.921 0.321 -8.869 1.00 0.48 C ATOM 487 CG ARG A 34 -9.362 0.375 -10.273 1.00 0.73 C ATOM 488 CD ARG A 34 -10.086 1.406 -11.116 1.00 1.02 C ATOM 489 NE ARG A 34 -9.471 1.549 -12.440 1.00 1.90 N ATOM 490 CZ ARG A 34 -8.593 2.500 -12.767 1.00 2.41 C ATOM 491 NH1 ARG A 34 -8.226 3.404 -11.868 1.00 2.17 N ATOM 492 NH2 ARG A 34 -8.081 2.545 -13.989 1.00 3.51 N ATOM 0 H ARG A 34 -9.920 -2.229 -8.819 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.050 -0.206 -8.020 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.935 -0.077 -8.905 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -9.990 1.335 -8.474 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.299 0.615 -10.234 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -9.450 -0.606 -10.740 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -11.131 1.116 -11.229 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -10.076 2.368 -10.604 1.00 1.02 H new ATOM 0 HE ARG A 34 -9.732 0.876 -13.160 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -8.615 3.373 -10.925 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -7.555 4.130 -12.119 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -8.358 1.851 -14.684 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -7.410 3.273 -14.235 1.00 3.51 H new ATOM 506 N PHE A 35 -8.757 0.614 -5.816 1.00 0.30 N ATOM 507 CA PHE A 35 -8.968 0.973 -4.405 1.00 0.34 C ATOM 508 C PHE A 35 -10.418 1.299 -4.056 1.00 0.38 C ATOM 509 O PHE A 35 -10.918 0.868 -3.017 1.00 0.41 O ATOM 510 CB PHE A 35 -8.041 2.098 -3.957 1.00 0.38 C ATOM 511 CG PHE A 35 -6.607 1.682 -3.814 1.00 0.37 C ATOM 512 CD1 PHE A 35 -6.187 0.993 -2.687 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.681 1.983 -4.790 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.871 0.614 -2.537 1.00 0.42 C ATOM 515 CE2 PHE A 35 -4.363 1.610 -4.644 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.956 0.923 -3.517 1.00 0.44 C ATOM 0 H PHE A 35 -7.993 1.128 -6.254 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.715 0.071 -3.848 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -8.102 2.915 -4.676 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -8.393 2.487 -3.002 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.902 0.750 -1.915 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.992 2.516 -5.677 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.559 0.077 -1.654 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.646 1.856 -5.413 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.923 0.629 -3.405 1.00 0.44 H new ATOM 526 N GLU A 36 -11.082 2.045 -4.908 1.00 0.44 N ATOM 527 CA GLU A 36 -12.469 2.412 -4.723 1.00 0.52 C ATOM 528 C GLU A 36 -13.399 1.219 -4.578 1.00 0.52 C ATOM 529 O GLU A 36 -14.388 1.286 -3.849 1.00 0.58 O ATOM 530 CB GLU A 36 -12.980 3.389 -5.787 1.00 0.64 C ATOM 531 CG GLU A 36 -12.395 3.261 -7.184 1.00 1.23 C ATOM 532 CD GLU A 36 -11.016 3.848 -7.267 1.00 1.60 C ATOM 533 OE1 GLU A 36 -10.894 5.076 -7.428 1.00 1.97 O ATOM 534 OE2 GLU A 36 -10.026 3.091 -7.201 1.00 2.06 O ATOM 0 H GLU A 36 -10.669 2.420 -5.762 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.486 2.939 -3.769 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -14.061 3.273 -5.861 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -12.792 4.403 -5.433 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -12.360 2.209 -7.468 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.047 3.763 -7.899 1.00 1.23 H new ATOM 541 N ASP A 37 -13.062 0.118 -5.207 1.00 0.49 N ATOM 542 CA ASP A 37 -13.902 -1.057 -5.120 1.00 0.55 C ATOM 543 C ASP A 37 -13.612 -1.805 -3.845 1.00 0.55 C ATOM 544 O ASP A 37 -14.515 -2.363 -3.219 1.00 0.66 O ATOM 545 CB ASP A 37 -13.725 -1.981 -6.326 1.00 0.62 C ATOM 546 CG ASP A 37 -14.561 -3.244 -6.204 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.787 -3.196 -6.457 1.00 0.92 O ATOM 548 OD2 ASP A 37 -14.007 -4.310 -5.869 1.00 0.86 O ATOM 0 H ASP A 37 -12.224 0.009 -5.778 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.939 -0.720 -5.117 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -14.004 -1.448 -7.235 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.673 -2.251 -6.425 1.00 0.62 H new ATOM 553 N ILE A 38 -12.378 -1.732 -3.389 1.00 0.47 N ATOM 554 CA ILE A 38 -11.995 -2.451 -2.186 1.00 0.51 C ATOM 555 C ILE A 38 -12.158 -1.590 -0.931 1.00 0.53 C ATOM 556 O ILE A 38 -11.684 -1.943 0.136 1.00 0.59 O ATOM 557 CB ILE A 38 -10.561 -3.062 -2.250 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.499 -1.967 -2.476 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.492 -4.126 -3.345 1.00 0.56 C ATOM 560 CD1 ILE A 38 -8.064 -2.467 -2.462 1.00 0.47 C ATOM 0 H ILE A 38 -11.631 -1.191 -3.824 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.687 -3.291 -2.124 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.345 -3.535 -1.292 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.692 -1.483 -3.434 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.612 -1.205 -1.705 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.487 -4.546 -3.381 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.209 -4.918 -3.128 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.731 -3.674 -4.307 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.386 -1.630 -2.629 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.847 -2.923 -1.496 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.929 -3.206 -3.251 1.00 0.47 H new ATOM 572 N GLY A 39 -12.905 -0.503 -1.072 1.00 0.54 N ATOM 573 CA GLY A 39 -13.245 0.347 0.061 1.00 0.61 C ATOM 574 C GLY A 39 -12.096 1.202 0.564 1.00 0.55 C ATOM 575 O GLY A 39 -11.945 1.403 1.774 1.00 0.69 O ATOM 0 H GLY A 39 -13.288 -0.188 -1.963 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -14.071 0.999 -0.223 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.601 -0.281 0.878 1.00 0.61 H new ATOM 579 N TYR A 40 -11.282 1.696 -0.338 1.00 0.45 N ATOM 580 CA TYR A 40 -10.154 2.529 0.034 1.00 0.48 C ATOM 581 C TYR A 40 -10.216 3.887 -0.595 1.00 0.56 C ATOM 582 O TYR A 40 -10.488 4.023 -1.791 1.00 0.64 O ATOM 583 CB TYR A 40 -8.817 1.879 -0.339 1.00 0.43 C ATOM 584 CG TYR A 40 -8.347 0.822 0.607 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.087 -0.329 0.779 1.00 0.73 C ATOM 586 CD2 TYR A 40 -7.171 0.957 1.317 1.00 0.74 C ATOM 587 CE1 TYR A 40 -8.672 -1.312 1.628 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.741 -0.018 2.173 1.00 0.99 C ATOM 589 CZ TYR A 40 -7.471 -1.105 2.372 1.00 1.11 C ATOM 590 OH TYR A 40 -7.058 -2.126 3.177 1.00 1.40 O ATOM 0 H TYR A 40 -11.377 1.537 -1.341 1.00 0.45 H new ATOM 0 HA TYR A 40 -10.217 2.637 1.117 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.907 1.442 -1.334 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -8.056 2.657 -0.400 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -10.010 -0.454 0.232 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.578 1.851 1.194 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -9.238 -2.225 1.735 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.800 0.099 2.690 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.587 -1.760 3.954 1.00 1.40 H new ATOM 600 N ASP A 41 -10.002 4.892 0.211 1.00 0.74 N ATOM 601 CA ASP A 41 -9.823 6.238 -0.285 1.00 0.95 C ATOM 602 C ASP A 41 -8.359 6.491 -0.271 1.00 1.01 C ATOM 603 O ASP A 41 -7.592 5.654 0.250 1.00 1.89 O ATOM 604 CB ASP A 41 -10.464 7.305 0.599 1.00 1.15 C ATOM 605 CG ASP A 41 -11.936 7.121 0.835 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.736 7.325 -0.115 1.00 2.07 O ATOM 607 OD2 ASP A 41 -12.333 6.796 1.964 1.00 2.16 O ATOM 0 H ASP A 41 -9.946 4.806 1.226 1.00 0.74 H new ATOM 0 HA ASP A 41 -10.289 6.303 -1.268 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -9.954 7.315 1.562 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.302 8.281 0.143 1.00 1.15 H new ATOM 612 N SER A 42 -7.955 7.617 -0.804 1.00 0.71 N ATOM 613 CA SER A 42 -6.571 8.000 -0.816 1.00 0.66 C ATOM 614 C SER A 42 -5.994 8.033 0.603 1.00 0.49 C ATOM 615 O SER A 42 -4.886 7.661 0.801 1.00 0.45 O ATOM 616 CB SER A 42 -6.342 9.337 -1.534 1.00 0.86 C ATOM 617 OG SER A 42 -6.816 10.475 -0.749 1.00 1.19 O ATOM 0 H SER A 42 -8.580 8.293 -1.242 1.00 0.71 H new ATOM 0 HA SER A 42 -6.038 7.238 -1.384 1.00 0.66 H new ATOM 0 HB2 SER A 42 -5.279 9.459 -1.741 1.00 0.86 H new ATOM 0 HB3 SER A 42 -6.854 9.323 -2.496 1.00 0.86 H new ATOM 0 HG SER A 42 -6.649 11.305 -1.242 1.00 1.19 H new ATOM 622 N LEU A 43 -6.805 8.428 1.583 1.00 0.49 N ATOM 623 CA LEU A 43 -6.354 8.552 2.975 1.00 0.49 C ATOM 624 C LEU A 43 -5.889 7.218 3.549 1.00 0.42 C ATOM 625 O LEU A 43 -4.790 7.131 4.126 1.00 0.41 O ATOM 626 CB LEU A 43 -7.470 9.133 3.848 1.00 0.65 C ATOM 627 CG LEU A 43 -7.935 10.539 3.484 1.00 0.79 C ATOM 628 CD1 LEU A 43 -9.055 10.990 4.405 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.770 11.513 3.536 1.00 1.03 C ATOM 0 H LEU A 43 -7.786 8.670 1.440 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.500 9.229 2.977 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.329 8.463 3.800 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -7.129 9.140 4.883 1.00 0.65 H new ATOM 0 HG LEU A 43 -8.322 10.520 2.465 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -9.372 11.995 4.128 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -9.899 10.306 4.314 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -8.700 10.993 5.435 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -7.119 12.512 3.274 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -6.352 11.527 4.543 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -6.002 11.200 2.829 1.00 1.03 H new ATOM 641 N ALA A 44 -6.698 6.181 3.381 1.00 0.40 N ATOM 642 CA ALA A 44 -6.331 4.838 3.844 1.00 0.38 C ATOM 643 C ALA A 44 -5.116 4.348 3.081 1.00 0.32 C ATOM 644 O ALA A 44 -4.203 3.734 3.635 1.00 0.33 O ATOM 645 CB ALA A 44 -7.489 3.873 3.646 1.00 0.43 C ATOM 0 H ALA A 44 -7.611 6.237 2.930 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.095 4.886 4.907 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.200 2.881 3.995 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.353 4.220 4.213 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.746 3.825 2.588 1.00 0.43 H new ATOM 651 N LEU A 45 -5.115 4.670 1.819 1.00 0.30 N ATOM 652 CA LEU A 45 -4.090 4.294 0.878 1.00 0.28 C ATOM 653 C LEU A 45 -2.742 4.981 1.265 1.00 0.28 C ATOM 654 O LEU A 45 -1.692 4.329 1.337 1.00 0.29 O ATOM 655 CB LEU A 45 -4.594 4.752 -0.492 1.00 0.30 C ATOM 656 CG LEU A 45 -4.077 4.078 -1.749 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.720 4.726 -2.949 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.572 4.118 -1.862 1.00 0.37 C ATOM 0 H LEU A 45 -5.859 5.225 1.396 1.00 0.30 H new ATOM 0 HA LEU A 45 -3.900 3.221 0.872 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.679 4.649 -0.490 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.375 5.816 -0.580 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.346 3.023 -1.700 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.356 4.249 -3.859 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.802 4.612 -2.888 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.468 5.786 -2.969 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.263 3.620 -2.781 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.236 5.155 -1.880 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.129 3.608 -1.007 1.00 0.37 H new ATOM 670 N MET A 46 -2.802 6.283 1.522 1.00 0.30 N ATOM 671 CA MET A 46 -1.648 7.089 1.939 1.00 0.34 C ATOM 672 C MET A 46 -1.103 6.569 3.235 1.00 0.34 C ATOM 673 O MET A 46 0.087 6.416 3.384 1.00 0.40 O ATOM 674 CB MET A 46 -2.029 8.568 2.142 1.00 0.39 C ATOM 675 CG MET A 46 -2.430 9.330 0.893 1.00 0.45 C ATOM 676 SD MET A 46 -3.004 10.993 1.289 1.00 0.68 S ATOM 677 CE MET A 46 -3.445 11.615 -0.330 1.00 1.44 C ATOM 0 H MET A 46 -3.665 6.822 1.447 1.00 0.30 H new ATOM 0 HA MET A 46 -0.903 7.018 1.147 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.854 8.616 2.853 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.183 9.081 2.600 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.580 9.390 0.213 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.218 8.787 0.371 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.595 12.693 -0.277 1.00 1.44 H new ATOM 0 HE2 MET A 46 -2.644 11.394 -1.035 1.00 1.44 H new ATOM 0 HE3 MET A 46 -4.366 11.137 -0.665 1.00 1.44 H new ATOM 687 N GLU A 47 -2.007 6.267 4.161 1.00 0.32 N ATOM 688 CA GLU A 47 -1.648 5.767 5.484 1.00 0.37 C ATOM 689 C GLU A 47 -0.889 4.438 5.346 1.00 0.32 C ATOM 690 O GLU A 47 0.097 4.194 6.045 1.00 0.33 O ATOM 691 CB GLU A 47 -2.921 5.589 6.315 1.00 0.45 C ATOM 692 CG GLU A 47 -2.692 5.396 7.806 1.00 0.85 C ATOM 693 CD GLU A 47 -1.970 6.567 8.436 1.00 1.22 C ATOM 694 OE1 GLU A 47 -2.553 7.662 8.529 1.00 1.89 O ATOM 695 OE2 GLU A 47 -0.795 6.411 8.833 1.00 1.82 O ATOM 0 H GLU A 47 -3.012 6.362 4.015 1.00 0.32 H new ATOM 0 HA GLU A 47 -0.997 6.479 5.990 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.557 6.462 6.170 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.470 4.728 5.932 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -3.652 5.255 8.303 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.113 4.487 7.967 1.00 0.85 H new ATOM 702 N THR A 48 -1.328 3.629 4.393 1.00 0.31 N ATOM 703 CA THR A 48 -0.697 2.358 4.070 1.00 0.30 C ATOM 704 C THR A 48 0.752 2.610 3.640 1.00 0.29 C ATOM 705 O THR A 48 1.706 2.055 4.230 1.00 0.32 O ATOM 706 CB THR A 48 -1.474 1.696 2.911 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.818 1.385 3.326 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.770 0.443 2.402 1.00 0.33 C ATOM 0 H THR A 48 -2.142 3.839 3.816 1.00 0.31 H new ATOM 0 HA THR A 48 -0.707 1.702 4.941 1.00 0.30 H new ATOM 0 HB THR A 48 -1.511 2.408 2.087 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.325 2.216 3.442 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.348 0.007 1.587 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.225 0.706 2.042 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.683 -0.280 3.213 1.00 0.33 H new ATOM 716 N ALA A 49 0.908 3.456 2.625 1.00 0.29 N ATOM 717 CA ALA A 49 2.211 3.824 2.113 1.00 0.30 C ATOM 718 C ALA A 49 3.069 4.409 3.220 1.00 0.27 C ATOM 719 O ALA A 49 4.211 4.002 3.401 1.00 0.27 O ATOM 720 CB ALA A 49 2.064 4.823 0.982 1.00 0.36 C ATOM 0 H ALA A 49 0.130 3.902 2.139 1.00 0.29 H new ATOM 0 HA ALA A 49 2.701 2.928 1.731 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.050 5.093 0.604 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.477 4.379 0.178 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.559 5.717 1.349 1.00 0.36 H new ATOM 726 N ALA A 50 2.471 5.317 3.991 1.00 0.29 N ATOM 727 CA ALA A 50 3.123 6.012 5.088 1.00 0.31 C ATOM 728 C ALA A 50 3.723 5.058 6.104 1.00 0.30 C ATOM 729 O ALA A 50 4.835 5.297 6.605 1.00 0.32 O ATOM 730 CB ALA A 50 2.159 6.972 5.764 1.00 0.39 C ATOM 0 H ALA A 50 1.497 5.592 3.863 1.00 0.29 H new ATOM 0 HA ALA A 50 3.947 6.581 4.657 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.667 7.482 6.582 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.810 7.707 5.039 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.307 6.416 6.156 1.00 0.39 H new ATOM 736 N ARG A 51 3.010 3.977 6.405 1.00 0.32 N ATOM 737 CA ARG A 51 3.522 3.000 7.334 1.00 0.37 C ATOM 738 C ARG A 51 4.765 2.344 6.770 1.00 0.32 C ATOM 739 O ARG A 51 5.801 2.297 7.431 1.00 0.36 O ATOM 740 CB ARG A 51 2.516 1.909 7.684 1.00 0.51 C ATOM 741 CG ARG A 51 3.118 0.931 8.671 1.00 1.04 C ATOM 742 CD ARG A 51 2.280 -0.285 8.914 1.00 1.15 C ATOM 743 NE ARG A 51 2.994 -1.218 9.797 1.00 1.91 N ATOM 744 CZ ARG A 51 2.627 -2.474 10.054 1.00 2.60 C ATOM 745 NH1 ARG A 51 1.594 -3.002 9.415 1.00 2.86 N ATOM 746 NH2 ARG A 51 3.312 -3.204 10.931 1.00 3.47 N ATOM 0 H ARG A 51 2.089 3.765 6.020 1.00 0.32 H new ATOM 0 HA ARG A 51 3.748 3.548 8.249 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.618 2.357 8.109 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.213 1.382 6.779 1.00 0.51 H new ATOM 0 HG2 ARG A 51 4.096 0.618 8.306 1.00 1.04 H new ATOM 0 HG3 ARG A 51 3.281 1.442 9.620 1.00 1.04 H new ATOM 0 HD2 ARG A 51 1.330 0.002 9.366 1.00 1.15 H new ATOM 0 HD3 ARG A 51 2.048 -0.772 7.967 1.00 1.15 H new ATOM 0 HE ARG A 51 3.841 -0.876 10.251 1.00 1.91 H new ATOM 0 HH11 ARG A 51 1.082 -2.448 8.729 1.00 2.86 H new ATOM 0 HH12 ARG A 51 1.311 -3.962 9.609 1.00 2.86 H new ATOM 0 HH21 ARG A 51 4.119 -2.803 11.408 1.00 3.47 H new ATOM 0 HH22 ARG A 51 3.030 -4.164 11.126 1.00 3.47 H new ATOM 760 N LEU A 52 4.671 1.865 5.533 1.00 0.27 N ATOM 761 CA LEU A 52 5.781 1.164 4.905 1.00 0.25 C ATOM 762 C LEU A 52 6.973 2.116 4.720 1.00 0.21 C ATOM 763 O LEU A 52 8.122 1.681 4.740 1.00 0.23 O ATOM 764 CB LEU A 52 5.353 0.475 3.580 1.00 0.29 C ATOM 765 CG LEU A 52 4.154 -0.478 3.690 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.790 -1.034 2.323 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.473 -1.619 4.649 1.00 0.44 C ATOM 0 H LEU A 52 3.839 1.950 4.949 1.00 0.27 H new ATOM 0 HA LEU A 52 6.102 0.360 5.567 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.115 1.248 2.849 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.204 -0.083 3.189 1.00 0.29 H new ATOM 0 HG LEU A 52 3.303 0.082 4.078 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.938 -1.707 2.419 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.530 -0.214 1.654 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.640 -1.580 1.914 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.615 -2.287 4.718 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.336 -2.174 4.280 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.697 -1.213 5.636 1.00 0.44 H new ATOM 779 N GLU A 53 6.685 3.426 4.578 1.00 0.19 N ATOM 780 CA GLU A 53 7.731 4.453 4.537 1.00 0.19 C ATOM 781 C GLU A 53 8.551 4.402 5.800 1.00 0.23 C ATOM 782 O GLU A 53 9.740 4.182 5.754 1.00 0.26 O ATOM 783 CB GLU A 53 7.181 5.867 4.445 1.00 0.22 C ATOM 784 CG GLU A 53 6.337 6.210 3.254 1.00 0.25 C ATOM 785 CD GLU A 53 5.957 7.669 3.280 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.075 8.070 4.073 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.534 8.440 2.528 1.00 0.38 O ATOM 0 H GLU A 53 5.737 3.791 4.490 1.00 0.19 H new ATOM 0 HA GLU A 53 8.319 4.236 3.645 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.590 6.056 5.341 1.00 0.22 H new ATOM 0 HB3 GLU A 53 8.024 6.557 4.469 1.00 0.22 H new ATOM 0 HG2 GLU A 53 6.883 5.986 2.337 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.438 5.594 3.248 1.00 0.25 H new ATOM 794 N SER A 54 7.882 4.593 6.920 1.00 0.31 N ATOM 795 CA SER A 54 8.513 4.646 8.221 1.00 0.40 C ATOM 796 C SER A 54 9.184 3.310 8.557 1.00 0.36 C ATOM 797 O SER A 54 10.310 3.261 9.043 1.00 0.39 O ATOM 798 CB SER A 54 7.439 4.951 9.264 1.00 0.53 C ATOM 799 OG SER A 54 6.620 6.041 8.851 1.00 1.17 O ATOM 0 H SER A 54 6.870 4.717 6.951 1.00 0.31 H new ATOM 0 HA SER A 54 9.280 5.421 8.218 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.821 4.067 9.424 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.910 5.187 10.218 1.00 0.53 H new ATOM 0 HG SER A 54 5.940 5.720 8.223 1.00 1.17 H new ATOM 805 N ARG A 55 8.468 2.250 8.274 1.00 0.35 N ATOM 806 CA ARG A 55 8.875 0.901 8.588 1.00 0.37 C ATOM 807 C ARG A 55 10.124 0.456 7.802 1.00 0.31 C ATOM 808 O ARG A 55 10.987 -0.237 8.340 1.00 0.36 O ATOM 809 CB ARG A 55 7.694 -0.029 8.315 1.00 0.48 C ATOM 810 CG ARG A 55 7.868 -1.459 8.758 1.00 0.61 C ATOM 811 CD ARG A 55 6.598 -2.240 8.489 1.00 0.85 C ATOM 812 NE ARG A 55 6.683 -3.616 8.960 1.00 1.35 N ATOM 813 CZ ARG A 55 6.168 -4.675 8.325 1.00 2.03 C ATOM 814 NH1 ARG A 55 5.536 -4.522 7.174 1.00 2.37 N ATOM 815 NH2 ARG A 55 6.302 -5.884 8.840 1.00 2.81 N ATOM 0 H ARG A 55 7.563 2.302 7.807 1.00 0.35 H new ATOM 0 HA ARG A 55 9.159 0.858 9.640 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.813 0.380 8.809 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.491 -0.023 7.244 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.704 -1.914 8.227 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.108 -1.493 9.821 1.00 0.61 H new ATOM 0 HD2 ARG A 55 5.759 -1.743 8.976 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.393 -2.237 7.419 1.00 0.85 H new ATOM 0 HE ARG A 55 7.172 -3.785 9.839 1.00 1.35 H new ATOM 0 HH11 ARG A 55 5.439 -3.593 6.765 1.00 2.37 H new ATOM 0 HH12 ARG A 55 5.146 -5.333 6.695 1.00 2.37 H new ATOM 0 HH21 ARG A 55 6.798 -6.010 9.722 1.00 2.81 H new ATOM 0 HH22 ARG A 55 5.909 -6.691 8.356 1.00 2.81 H new ATOM 829 N TYR A 56 10.209 0.833 6.539 1.00 0.28 N ATOM 830 CA TYR A 56 11.314 0.375 5.701 1.00 0.31 C ATOM 831 C TYR A 56 12.317 1.467 5.328 1.00 0.33 C ATOM 832 O TYR A 56 13.389 1.168 4.809 1.00 0.43 O ATOM 833 CB TYR A 56 10.795 -0.330 4.449 1.00 0.34 C ATOM 834 CG TYR A 56 10.056 -1.616 4.739 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.752 -2.802 4.923 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.673 -1.645 4.841 1.00 0.45 C ATOM 837 CE1 TYR A 56 10.092 -3.977 5.198 1.00 0.64 C ATOM 838 CE2 TYR A 56 8.005 -2.815 5.121 1.00 0.57 C ATOM 839 CZ TYR A 56 8.719 -3.982 5.300 1.00 0.66 C ATOM 840 OH TYR A 56 8.058 -5.161 5.582 1.00 0.80 O ATOM 0 H TYR A 56 9.540 1.445 6.072 1.00 0.28 H new ATOM 0 HA TYR A 56 11.867 -0.336 6.316 1.00 0.31 H new ATOM 0 HB2 TYR A 56 10.132 0.347 3.910 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.635 -0.545 3.789 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.829 -2.803 4.849 1.00 0.53 H new ATOM 0 HD2 TYR A 56 8.111 -0.734 4.698 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.649 -4.892 5.333 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.928 -2.820 5.200 1.00 0.57 H new ATOM 0 HH TYR A 56 7.107 -5.063 5.365 1.00 0.80 H new ATOM 850 N GLY A 57 11.982 2.703 5.574 1.00 0.31 N ATOM 851 CA GLY A 57 12.879 3.786 5.231 1.00 0.38 C ATOM 852 C GLY A 57 12.697 4.235 3.796 1.00 0.38 C ATOM 853 O GLY A 57 13.647 4.260 3.011 1.00 0.53 O ATOM 0 H GLY A 57 11.104 2.990 6.007 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.704 4.628 5.900 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.910 3.466 5.384 1.00 0.38 H new ATOM 857 N VAL A 58 11.474 4.581 3.445 1.00 0.37 N ATOM 858 CA VAL A 58 11.146 5.029 2.093 1.00 0.37 C ATOM 859 C VAL A 58 10.296 6.281 2.158 1.00 0.34 C ATOM 860 O VAL A 58 9.983 6.756 3.250 1.00 0.33 O ATOM 861 CB VAL A 58 10.438 3.946 1.187 1.00 0.38 C ATOM 862 CG1 VAL A 58 11.219 2.665 1.148 1.00 0.45 C ATOM 863 CG2 VAL A 58 9.005 3.667 1.606 1.00 0.33 C ATOM 0 H VAL A 58 10.677 4.562 4.082 1.00 0.37 H new ATOM 0 HA VAL A 58 12.103 5.231 1.612 1.00 0.37 H new ATOM 0 HB VAL A 58 10.407 4.374 0.185 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.702 1.943 0.516 1.00 0.45 H new ATOM 0 HG12 VAL A 58 12.213 2.857 0.743 1.00 0.45 H new ATOM 0 HG13 VAL A 58 11.310 2.264 2.157 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.573 2.915 0.946 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.991 3.300 2.632 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.422 4.585 1.541 1.00 0.33 H new ATOM 873 N SER A 59 9.971 6.836 1.026 1.00 0.37 N ATOM 874 CA SER A 59 9.097 7.958 0.970 1.00 0.41 C ATOM 875 C SER A 59 8.203 7.841 -0.258 1.00 0.38 C ATOM 876 O SER A 59 8.679 7.661 -1.389 1.00 0.47 O ATOM 877 CB SER A 59 9.885 9.284 0.965 1.00 0.56 C ATOM 878 OG SER A 59 9.014 10.414 1.053 1.00 1.54 O ATOM 0 H SER A 59 10.308 6.518 0.117 1.00 0.37 H new ATOM 0 HA SER A 59 8.473 7.964 1.863 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.583 9.296 1.802 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.479 9.352 0.053 1.00 0.56 H new ATOM 0 HG SER A 59 9.545 11.238 1.049 1.00 1.54 H new ATOM 884 N ILE A 60 6.930 7.871 -0.009 1.00 0.31 N ATOM 885 CA ILE A 60 5.913 7.829 -1.016 1.00 0.31 C ATOM 886 C ILE A 60 5.156 9.136 -0.906 1.00 0.34 C ATOM 887 O ILE A 60 4.432 9.345 0.078 1.00 0.40 O ATOM 888 CB ILE A 60 4.906 6.654 -0.792 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.631 5.298 -0.669 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.870 6.605 -1.918 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.458 4.909 -1.885 1.00 0.59 C ATOM 0 H ILE A 60 6.556 7.928 0.938 1.00 0.31 H new ATOM 0 HA ILE A 60 6.374 7.679 -1.992 1.00 0.31 H new ATOM 0 HB ILE A 60 4.391 6.842 0.150 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.284 5.328 0.203 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.890 4.520 -0.486 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.180 5.780 -1.742 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.315 7.543 -1.943 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.376 6.457 -2.872 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.931 3.943 -1.709 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.810 4.842 -2.759 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.226 5.663 -2.059 1.00 0.59 H new ATOM 903 N PRO A 61 5.355 10.055 -1.858 1.00 0.37 N ATOM 904 CA PRO A 61 4.703 11.366 -1.842 1.00 0.45 C ATOM 905 C PRO A 61 3.172 11.271 -1.776 1.00 0.41 C ATOM 906 O PRO A 61 2.558 10.342 -2.340 1.00 0.35 O ATOM 907 CB PRO A 61 5.157 12.011 -3.152 1.00 0.54 C ATOM 908 CG PRO A 61 6.434 11.322 -3.477 1.00 0.56 C ATOM 909 CD PRO A 61 6.254 9.907 -3.017 1.00 0.43 C ATOM 0 HA PRO A 61 4.977 11.941 -0.957 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.418 11.872 -3.941 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.302 13.085 -3.037 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.641 11.364 -4.546 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.275 11.795 -2.971 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.814 9.282 -3.794 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.202 9.448 -2.738 1.00 0.43 H new ATOM 917 N ASP A 62 2.588 12.235 -1.087 1.00 0.51 N ATOM 918 CA ASP A 62 1.142 12.352 -0.833 1.00 0.55 C ATOM 919 C ASP A 62 0.341 12.271 -2.125 1.00 0.45 C ATOM 920 O ASP A 62 -0.579 11.457 -2.251 1.00 0.46 O ATOM 921 CB ASP A 62 0.878 13.702 -0.139 1.00 0.77 C ATOM 922 CG ASP A 62 -0.565 13.937 0.260 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.935 13.572 1.379 1.00 1.99 O ATOM 924 OD2 ASP A 62 -1.324 14.541 -0.515 1.00 1.64 O ATOM 0 H ASP A 62 3.121 12.996 -0.666 1.00 0.51 H new ATOM 0 HA ASP A 62 0.826 11.525 -0.198 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.502 13.765 0.752 1.00 0.77 H new ATOM 0 HB3 ASP A 62 1.192 14.505 -0.805 1.00 0.77 H new ATOM 929 N ASP A 63 0.769 13.032 -3.113 1.00 0.44 N ATOM 930 CA ASP A 63 0.055 13.117 -4.397 1.00 0.45 C ATOM 931 C ASP A 63 0.263 11.888 -5.239 1.00 0.40 C ATOM 932 O ASP A 63 -0.369 11.724 -6.245 1.00 0.48 O ATOM 933 CB ASP A 63 0.462 14.346 -5.203 1.00 0.58 C ATOM 934 CG ASP A 63 0.133 15.630 -4.517 1.00 1.37 C ATOM 935 OD1 ASP A 63 -1.022 16.105 -4.666 1.00 1.66 O ATOM 936 OD2 ASP A 63 0.998 16.192 -3.800 1.00 2.18 O ATOM 0 H ASP A 63 1.610 13.607 -3.062 1.00 0.44 H new ATOM 0 HA ASP A 63 -1.001 13.199 -4.141 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.534 14.308 -5.396 1.00 0.58 H new ATOM 0 HB3 ASP A 63 -0.037 14.320 -6.172 1.00 0.58 H new ATOM 941 N VAL A 64 1.224 11.091 -4.887 1.00 0.34 N ATOM 942 CA VAL A 64 1.439 9.815 -5.545 1.00 0.37 C ATOM 943 C VAL A 64 0.518 8.789 -4.911 1.00 0.36 C ATOM 944 O VAL A 64 -0.318 8.185 -5.582 1.00 0.43 O ATOM 945 CB VAL A 64 2.919 9.376 -5.444 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.134 8.049 -6.146 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.820 10.432 -6.060 1.00 0.50 C ATOM 0 H VAL A 64 1.886 11.295 -4.139 1.00 0.34 H new ATOM 0 HA VAL A 64 1.210 9.907 -6.607 1.00 0.37 H new ATOM 0 HB VAL A 64 3.169 9.258 -4.390 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.181 7.759 -6.063 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.508 7.286 -5.682 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.867 8.147 -7.198 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.859 10.113 -5.984 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.558 10.567 -7.109 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.690 11.375 -5.530 1.00 0.50 H new ATOM 957 N ALA A 65 0.666 8.624 -3.602 1.00 0.35 N ATOM 958 CA ALA A 65 -0.128 7.684 -2.824 1.00 0.39 C ATOM 959 C ALA A 65 -1.625 7.947 -2.991 1.00 0.41 C ATOM 960 O ALA A 65 -2.403 7.036 -3.124 1.00 0.45 O ATOM 961 CB ALA A 65 0.264 7.752 -1.355 1.00 0.44 C ATOM 0 H ALA A 65 1.346 9.144 -3.047 1.00 0.35 H new ATOM 0 HA ALA A 65 0.077 6.681 -3.198 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.337 7.044 -0.785 1.00 0.44 H new ATOM 0 HB2 ALA A 65 1.319 7.500 -1.248 1.00 0.44 H new ATOM 0 HB3 ALA A 65 0.091 8.760 -0.979 1.00 0.44 H new ATOM 967 N GLY A 66 -2.005 9.198 -3.036 1.00 0.47 N ATOM 968 CA GLY A 66 -3.396 9.528 -3.202 1.00 0.55 C ATOM 969 C GLY A 66 -3.789 9.710 -4.651 1.00 0.58 C ATOM 970 O GLY A 66 -4.700 10.477 -4.960 1.00 0.81 O ATOM 0 H GLY A 66 -1.377 9.998 -2.961 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.006 8.740 -2.762 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.615 10.444 -2.654 1.00 0.55 H new ATOM 974 N ARG A 67 -3.103 9.038 -5.542 1.00 0.54 N ATOM 975 CA ARG A 67 -3.389 9.151 -6.961 1.00 0.61 C ATOM 976 C ARG A 67 -3.283 7.798 -7.652 1.00 0.52 C ATOM 977 O ARG A 67 -3.729 7.633 -8.801 1.00 0.59 O ATOM 978 CB ARG A 67 -2.409 10.134 -7.570 1.00 0.75 C ATOM 979 CG ARG A 67 -2.565 10.440 -9.034 1.00 1.32 C ATOM 980 CD ARG A 67 -1.489 11.401 -9.459 1.00 1.55 C ATOM 981 NE ARG A 67 -1.535 11.719 -10.878 1.00 1.97 N ATOM 982 CZ ARG A 67 -0.621 12.469 -11.505 1.00 2.53 C ATOM 983 NH1 ARG A 67 0.400 12.989 -10.829 1.00 2.73 N ATOM 984 NH2 ARG A 67 -0.714 12.682 -12.798 1.00 3.33 N ATOM 0 H ARG A 67 -2.338 8.403 -5.314 1.00 0.54 H new ATOM 0 HA ARG A 67 -4.410 9.506 -7.097 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -2.484 11.071 -7.019 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -1.402 9.750 -7.410 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -2.500 9.522 -9.618 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -3.548 10.870 -9.225 1.00 1.32 H new ATOM 0 HD2 ARG A 67 -1.584 12.322 -8.883 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.515 10.975 -9.220 1.00 1.55 H new ATOM 0 HE ARG A 67 -2.310 11.348 -11.428 1.00 1.97 H new ATOM 0 HH11 ARG A 67 0.489 12.817 -9.828 1.00 2.73 H new ATOM 0 HH12 ARG A 67 1.094 13.560 -11.312 1.00 2.73 H new ATOM 0 HH21 ARG A 67 -1.485 12.275 -13.328 1.00 3.33 H new ATOM 0 HH22 ARG A 67 -0.015 13.254 -13.272 1.00 3.33 H new ATOM 998 N VAL A 68 -2.740 6.824 -6.958 1.00 0.43 N ATOM 999 CA VAL A 68 -2.566 5.516 -7.532 1.00 0.39 C ATOM 1000 C VAL A 68 -3.884 4.766 -7.624 1.00 0.35 C ATOM 1001 O VAL A 68 -4.773 4.906 -6.778 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.454 4.673 -6.846 1.00 0.39 C ATOM 1003 CG1 VAL A 68 -0.086 5.162 -7.295 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.542 4.799 -5.345 1.00 0.36 C ATOM 0 H VAL A 68 -2.413 6.916 -5.996 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.210 5.681 -8.549 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.593 3.630 -7.130 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.689 4.568 -6.811 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.000 5.059 -8.377 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.034 6.210 -7.019 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.756 4.202 -4.883 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.419 5.844 -5.060 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.515 4.442 -5.006 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.993 4.010 -8.671 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.215 3.353 -9.075 1.00 0.41 C ATOM 1016 C ASP A 69 -5.354 2.000 -8.423 1.00 0.28 C ATOM 1017 O ASP A 69 -6.427 1.643 -7.923 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.214 3.154 -10.613 1.00 0.62 C ATOM 1019 CG ASP A 69 -5.085 4.441 -11.431 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -3.951 4.874 -11.731 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -6.122 5.027 -11.827 1.00 1.76 O ATOM 0 H ASP A 69 -3.210 3.821 -9.297 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.048 3.984 -8.766 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -4.392 2.489 -10.878 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.137 2.650 -10.900 1.00 0.62 H new ATOM 1026 N THR A 70 -4.275 1.252 -8.408 1.00 0.30 N ATOM 1027 CA THR A 70 -4.300 -0.103 -7.924 1.00 0.27 C ATOM 1028 C THR A 70 -3.127 -0.377 -6.964 1.00 0.24 C ATOM 1029 O THR A 70 -2.092 0.318 -7.016 1.00 0.25 O ATOM 1030 CB THR A 70 -4.234 -1.076 -9.125 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.141 -0.698 -9.990 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.536 -1.064 -9.915 1.00 0.36 C ATOM 0 H THR A 70 -3.360 1.567 -8.730 1.00 0.30 H new ATOM 0 HA THR A 70 -5.227 -0.255 -7.372 1.00 0.27 H new ATOM 0 HB THR A 70 -4.076 -2.084 -8.742 1.00 0.34 H new ATOM 0 HG1 THR A 70 -3.097 -1.315 -10.750 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.460 -1.757 -10.753 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.358 -1.367 -9.267 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.724 -0.059 -10.292 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.291 -1.368 -6.030 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.232 -1.798 -5.094 1.00 0.22 C ATOM 1042 C PRO A 71 -0.942 -2.172 -5.822 1.00 0.22 C ATOM 1043 O PRO A 71 0.140 -2.055 -5.266 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.836 -3.028 -4.413 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.300 -2.798 -4.475 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.549 -2.105 -5.783 1.00 0.23 C ATOM 0 HA PRO A 71 -1.953 -1.006 -4.399 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.555 -3.946 -4.929 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.491 -3.122 -3.383 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.847 -3.740 -4.421 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.636 -2.186 -3.638 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.760 -2.817 -6.581 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.404 -1.431 -5.724 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.101 -2.629 -7.059 1.00 0.24 N ATOM 1055 CA ARG A 72 -0.019 -2.928 -8.005 1.00 0.28 C ATOM 1056 C ARG A 72 0.982 -1.776 -8.026 1.00 0.27 C ATOM 1057 O ARG A 72 2.168 -1.946 -7.726 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.678 -3.066 -9.398 1.00 0.40 C ATOM 1059 CG ARG A 72 0.246 -3.127 -10.612 1.00 0.70 C ATOM 1060 CD ARG A 72 1.032 -4.402 -10.656 1.00 0.74 C ATOM 1061 NE ARG A 72 0.155 -5.571 -10.699 1.00 1.18 N ATOM 1062 CZ ARG A 72 0.506 -6.795 -10.298 1.00 1.71 C ATOM 1063 NH1 ARG A 72 1.779 -7.072 -9.997 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -0.400 -7.752 -10.261 1.00 2.72 N ATOM 0 H ARG A 72 -2.025 -2.811 -7.452 1.00 0.24 H new ATOM 0 HA ARG A 72 0.512 -3.837 -7.723 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.288 -3.970 -9.394 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -1.357 -2.224 -9.534 1.00 0.40 H new ATOM 0 HG2 ARG A 72 -0.346 -3.034 -11.523 1.00 0.70 H new ATOM 0 HG3 ARG A 72 0.931 -2.279 -10.589 1.00 0.70 H new ATOM 0 HD2 ARG A 72 1.681 -4.400 -11.532 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.678 -4.463 -9.780 1.00 0.74 H new ATOM 0 HE ARG A 72 -0.790 -5.443 -11.060 1.00 1.18 H new ATOM 0 HH11 ARG A 72 2.491 -6.345 -10.073 1.00 1.88 H new ATOM 0 HH12 ARG A 72 2.038 -8.010 -9.691 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.362 -7.555 -10.538 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -0.139 -8.690 -9.956 1.00 2.72 H new ATOM 1078 N GLU A 73 0.459 -0.617 -8.321 1.00 0.24 N ATOM 1079 CA GLU A 73 1.221 0.594 -8.463 1.00 0.26 C ATOM 1080 C GLU A 73 1.858 1.000 -7.145 1.00 0.25 C ATOM 1081 O GLU A 73 3.034 1.351 -7.097 1.00 0.32 O ATOM 1082 CB GLU A 73 0.299 1.687 -8.964 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.406 1.329 -10.261 1.00 0.50 C ATOM 1084 CD GLU A 73 0.554 1.108 -11.389 1.00 1.41 C ATOM 1085 OE1 GLU A 73 0.997 2.109 -12.003 1.00 1.82 O ATOM 1086 OE2 GLU A 73 0.891 -0.041 -11.689 1.00 2.21 O ATOM 0 H GLU A 73 -0.541 -0.485 -8.474 1.00 0.24 H new ATOM 0 HA GLU A 73 2.028 0.430 -9.177 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.448 1.902 -8.200 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.876 2.600 -9.112 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -1.001 0.428 -10.112 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -1.098 2.127 -10.528 1.00 0.50 H new ATOM 1093 N LEU A 74 1.094 0.879 -6.074 1.00 0.23 N ATOM 1094 CA LEU A 74 1.536 1.300 -4.752 1.00 0.26 C ATOM 1095 C LEU A 74 2.667 0.390 -4.268 1.00 0.25 C ATOM 1096 O LEU A 74 3.697 0.869 -3.787 1.00 0.28 O ATOM 1097 CB LEU A 74 0.328 1.283 -3.773 1.00 0.28 C ATOM 1098 CG LEU A 74 0.473 2.013 -2.404 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.383 1.275 -1.430 1.00 1.01 C ATOM 1100 CD2 LEU A 74 0.962 3.441 -2.614 1.00 1.11 C ATOM 0 H LEU A 74 0.152 0.488 -6.093 1.00 0.23 H new ATOM 0 HA LEU A 74 1.924 2.318 -4.795 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.526 1.718 -4.292 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.081 0.241 -3.569 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.518 2.032 -1.951 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.444 1.833 -0.495 1.00 1.01 H new ATOM 0 HD12 LEU A 74 0.978 0.282 -1.234 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.379 1.182 -1.862 1.00 1.01 H new ATOM 0 HD21 LEU A 74 1.058 3.938 -1.649 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.931 3.424 -3.112 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.246 3.984 -3.232 1.00 1.11 H new ATOM 1112 N LEU A 75 2.472 -0.907 -4.412 1.00 0.24 N ATOM 1113 CA LEU A 75 3.459 -1.893 -4.019 1.00 0.28 C ATOM 1114 C LEU A 75 4.772 -1.665 -4.765 1.00 0.28 C ATOM 1115 O LEU A 75 5.860 -1.695 -4.163 1.00 0.30 O ATOM 1116 CB LEU A 75 2.924 -3.315 -4.256 1.00 0.32 C ATOM 1117 CG LEU A 75 3.827 -4.467 -3.804 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.093 -4.387 -2.305 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.192 -5.797 -4.156 1.00 0.48 C ATOM 0 H LEU A 75 1.621 -1.307 -4.807 1.00 0.24 H new ATOM 0 HA LEU A 75 3.656 -1.782 -2.953 1.00 0.28 H new ATOM 0 HB2 LEU A 75 1.967 -3.410 -3.743 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.728 -3.433 -5.322 1.00 0.32 H new ATOM 0 HG LEU A 75 4.781 -4.383 -4.325 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.736 -5.214 -2.005 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.585 -3.442 -2.073 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.149 -4.447 -1.764 1.00 0.46 H new ATOM 0 HD21 LEU A 75 3.843 -6.608 -3.830 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.227 -5.883 -3.657 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.049 -5.858 -5.235 1.00 0.48 H new ATOM 1131 N ASP A 76 4.661 -1.380 -6.055 1.00 0.28 N ATOM 1132 CA ASP A 76 5.832 -1.147 -6.895 1.00 0.33 C ATOM 1133 C ASP A 76 6.563 0.129 -6.488 1.00 0.30 C ATOM 1134 O ASP A 76 7.787 0.187 -6.543 1.00 0.32 O ATOM 1135 CB ASP A 76 5.461 -1.116 -8.373 1.00 0.43 C ATOM 1136 CG ASP A 76 6.669 -0.953 -9.264 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.521 -1.865 -9.302 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.796 0.082 -9.942 1.00 0.68 O ATOM 0 H ASP A 76 3.770 -1.304 -6.546 1.00 0.28 H new ATOM 0 HA ASP A 76 6.513 -1.984 -6.742 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.941 -2.038 -8.634 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.766 -0.296 -8.554 1.00 0.43 H new ATOM 1143 N LEU A 77 5.807 1.129 -6.034 1.00 0.29 N ATOM 1144 CA LEU A 77 6.386 2.381 -5.521 1.00 0.30 C ATOM 1145 C LEU A 77 7.283 2.080 -4.340 1.00 0.28 C ATOM 1146 O LEU A 77 8.429 2.536 -4.272 1.00 0.35 O ATOM 1147 CB LEU A 77 5.283 3.330 -5.047 1.00 0.35 C ATOM 1148 CG LEU A 77 4.358 3.905 -6.097 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.199 4.606 -5.419 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.116 4.878 -6.982 1.00 0.45 C ATOM 0 H LEU A 77 4.788 1.100 -6.009 1.00 0.29 H new ATOM 0 HA LEU A 77 6.953 2.848 -6.327 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.673 2.799 -4.316 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.756 4.161 -4.524 1.00 0.35 H new ATOM 0 HG LEU A 77 3.973 3.098 -6.720 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.532 5.021 -6.175 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.651 3.892 -4.804 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.579 5.411 -4.789 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.442 5.286 -7.735 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.514 5.689 -6.373 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.937 4.358 -7.475 1.00 0.45 H new ATOM 1162 N ILE A 78 6.749 1.288 -3.416 1.00 0.27 N ATOM 1163 CA ILE A 78 7.470 0.883 -2.219 1.00 0.29 C ATOM 1164 C ILE A 78 8.733 0.121 -2.630 1.00 0.30 C ATOM 1165 O ILE A 78 9.843 0.479 -2.238 1.00 0.31 O ATOM 1166 CB ILE A 78 6.599 -0.059 -1.334 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.242 0.577 -0.976 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.353 -0.426 -0.060 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.328 1.825 -0.117 1.00 0.38 C ATOM 0 H ILE A 78 5.804 0.910 -3.478 1.00 0.27 H new ATOM 0 HA ILE A 78 7.720 1.779 -1.650 1.00 0.29 H new ATOM 0 HB ILE A 78 6.399 -0.960 -1.914 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.718 0.825 -1.899 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.636 -0.164 -0.455 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.736 -1.084 0.551 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.280 -0.936 -0.320 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.583 0.480 0.501 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.324 2.200 0.082 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.819 1.585 0.826 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.903 2.589 -0.641 1.00 0.38 H new ATOM 1181 N ASN A 79 8.544 -0.915 -3.446 1.00 0.34 N ATOM 1182 CA ASN A 79 9.654 -1.788 -3.873 1.00 0.41 C ATOM 1183 C ASN A 79 10.713 -1.018 -4.647 1.00 0.38 C ATOM 1184 O ASN A 79 11.905 -1.243 -4.461 1.00 0.42 O ATOM 1185 CB ASN A 79 9.169 -3.004 -4.697 1.00 0.53 C ATOM 1186 CG ASN A 79 8.391 -4.057 -3.895 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.462 -5.240 -4.183 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.639 -3.649 -2.904 1.00 0.63 N ATOM 0 H ASN A 79 7.635 -1.176 -3.829 1.00 0.34 H new ATOM 0 HA ASN A 79 10.105 -2.168 -2.956 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.536 -2.646 -5.509 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.034 -3.483 -5.155 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.102 -4.324 -2.360 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.591 -2.656 -2.676 1.00 0.63 H new ATOM 1195 N GLY A 80 10.270 -0.088 -5.477 1.00 0.38 N ATOM 1196 CA GLY A 80 11.172 0.732 -6.261 1.00 0.42 C ATOM 1197 C GLY A 80 12.039 1.602 -5.393 1.00 0.38 C ATOM 1198 O GLY A 80 13.242 1.719 -5.627 1.00 0.46 O ATOM 0 H GLY A 80 9.282 0.117 -5.624 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.803 0.091 -6.877 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.595 1.359 -6.941 1.00 0.42 H new ATOM 1202 N ALA A 81 11.443 2.173 -4.357 1.00 0.31 N ATOM 1203 CA ALA A 81 12.164 3.028 -3.431 1.00 0.32 C ATOM 1204 C ALA A 81 13.143 2.200 -2.608 1.00 0.33 C ATOM 1205 O ALA A 81 14.267 2.629 -2.348 1.00 0.45 O ATOM 1206 CB ALA A 81 11.190 3.767 -2.526 1.00 0.33 C ATOM 0 H ALA A 81 10.454 2.057 -4.137 1.00 0.31 H new ATOM 0 HA ALA A 81 12.729 3.767 -3.999 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.745 4.404 -1.837 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.525 4.381 -3.132 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.601 3.046 -1.959 1.00 0.33 H new ATOM 1212 N LEU A 82 12.708 1.007 -2.227 1.00 0.29 N ATOM 1213 CA LEU A 82 13.535 0.064 -1.489 1.00 0.36 C ATOM 1214 C LEU A 82 14.763 -0.330 -2.289 1.00 0.46 C ATOM 1215 O LEU A 82 15.901 -0.177 -1.814 1.00 0.61 O ATOM 1216 CB LEU A 82 12.732 -1.192 -1.132 1.00 0.42 C ATOM 1217 CG LEU A 82 11.650 -1.022 -0.074 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.808 -2.281 0.037 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.289 -0.718 1.260 1.00 0.67 C ATOM 0 H LEU A 82 11.767 0.665 -2.422 1.00 0.29 H new ATOM 0 HA LEU A 82 13.859 0.557 -0.572 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.265 -1.570 -2.042 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.428 -1.958 -0.790 1.00 0.42 H new ATOM 0 HG LEU A 82 11.002 -0.195 -0.367 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.041 -2.140 0.798 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.334 -2.487 -0.923 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.444 -3.121 0.315 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.513 -0.597 2.016 1.00 0.67 H new ATOM 0 HD22 LEU A 82 12.947 -1.539 1.544 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.869 0.202 1.184 1.00 0.67 H new ATOM 1231 N ALA A 83 14.534 -0.812 -3.501 1.00 0.54 N ATOM 1232 CA ALA A 83 15.597 -1.272 -4.376 1.00 0.69 C ATOM 1233 C ALA A 83 16.560 -0.147 -4.738 1.00 0.73 C ATOM 1234 O ALA A 83 17.784 -0.322 -4.677 1.00 0.84 O ATOM 1235 CB ALA A 83 15.016 -1.909 -5.629 1.00 0.88 C ATOM 0 H ALA A 83 13.601 -0.895 -3.905 1.00 0.54 H new ATOM 0 HA ALA A 83 16.168 -2.025 -3.833 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.827 -2.248 -6.274 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.394 -2.760 -5.350 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.410 -1.176 -6.162 1.00 0.88 H new