USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 417 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ 179:sc= 1.95 (180deg=1.9) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 131 MET CE :methyl -132:sc= -0.325 (180deg=-5.5!) USER MOD Single : A 132 LYS NZ :NH3+ 152:sc= 1.13 (180deg=-0.183) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 148 MET CE :methyl 163:sc= -0.431 (180deg=-1.26) USER MOD Single : A 152 LYS NZ :NH3+ -159:sc= 1.98 (180deg=1.53) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -4.367 -12.281 -2.344 1.00 0.00 N ATOM 32 CA GLU A 89 -3.924 -11.722 -1.018 1.00 0.00 C ATOM 33 C GLU A 89 -3.661 -10.166 -1.041 1.00 0.00 C ATOM 34 O GLU A 89 -4.295 -9.370 -0.322 1.00 0.00 O ATOM 35 CB GLU A 89 -2.716 -12.525 -0.444 1.00 0.00 C ATOM 36 CG GLU A 89 -2.986 -13.977 0.039 1.00 0.00 C ATOM 37 CD GLU A 89 -4.063 -14.177 1.100 1.00 0.00 C ATOM 38 OE1 GLU A 89 -4.319 -13.283 1.933 1.00 0.00 O ATOM 39 OE2 GLU A 89 -4.761 -15.208 1.031 1.00 0.00 O ATOM 0 HA GLU A 89 -4.763 -11.852 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.943 -12.564 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.306 -11.962 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.255 -14.576 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.051 -14.381 0.428 1.00 0.00 H new ATOM 46 N ILE A 90 -2.725 -9.782 -1.930 1.00 0.00 N ATOM 47 CA ILE A 90 -2.299 -8.385 -2.218 1.00 0.00 C ATOM 48 C ILE A 90 -3.536 -7.508 -2.623 1.00 0.00 C ATOM 49 O ILE A 90 -3.743 -6.451 -2.031 1.00 0.00 O ATOM 50 CB ILE A 90 -1.204 -8.466 -3.352 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.118 -9.281 -3.158 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.761 -7.089 -3.863 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.046 -10.786 -2.864 1.00 0.00 C ATOM 0 H ILE A 90 -2.218 -10.462 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.872 -7.901 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.805 -9.051 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.715 -9.154 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.671 -8.816 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.008 -7.215 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.621 -6.559 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.339 -6.513 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.055 -11.185 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.506 -10.950 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.462 -11.293 -3.684 1.00 0.00 H new ATOM 65 N LEU A 91 -4.324 -7.949 -3.626 1.00 0.00 N ATOM 66 CA LEU A 91 -5.581 -7.312 -4.088 1.00 0.00 C ATOM 67 C LEU A 91 -6.570 -7.138 -2.910 1.00 0.00 C ATOM 68 O LEU A 91 -7.113 -6.043 -2.786 1.00 0.00 O ATOM 69 CB LEU A 91 -6.159 -8.098 -5.305 1.00 0.00 C ATOM 70 CG LEU A 91 -7.659 -7.993 -5.747 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.850 -8.483 -7.199 1.00 0.00 C ATOM 72 CD2 LEU A 91 -8.662 -8.786 -4.877 1.00 0.00 C ATOM 0 H LEU A 91 -4.096 -8.789 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.382 -6.302 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.560 -7.815 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.965 -9.153 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.878 -6.931 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.901 -8.398 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.247 -7.873 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.538 -9.525 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.671 -8.647 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.406 -9.845 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.617 -8.425 -3.849 1.00 0.00 H new ATOM 84 N ARG A 92 -6.804 -8.153 -2.036 1.00 0.00 N ATOM 85 CA ARG A 92 -7.698 -7.980 -0.863 1.00 0.00 C ATOM 86 C ARG A 92 -7.192 -6.814 0.040 1.00 0.00 C ATOM 87 O ARG A 92 -7.944 -5.838 0.188 1.00 0.00 O ATOM 88 CB ARG A 92 -7.895 -9.315 -0.089 1.00 0.00 C ATOM 89 CG ARG A 92 -9.024 -10.204 -0.664 1.00 0.00 C ATOM 90 CD ARG A 92 -9.354 -11.451 0.184 1.00 0.00 C ATOM 91 NE ARG A 92 -8.563 -12.638 -0.238 1.00 0.00 N ATOM 92 CZ ARG A 92 -7.497 -13.143 0.379 1.00 0.00 C ATOM 93 NH1 ARG A 92 -6.911 -12.582 1.405 1.00 0.00 N ATOM 94 NH2 ARG A 92 -7.004 -14.251 -0.077 1.00 0.00 N ATOM 0 H ARG A 92 -6.394 -9.083 -2.120 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.689 -7.699 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.960 -9.875 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.116 -9.091 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.926 -9.601 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.740 -10.527 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.155 -11.238 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.417 -11.675 0.100 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.869 -13.114 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.269 -11.703 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.096 -13.023 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.432 -14.706 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.187 -14.668 0.370 1.00 0.00 H new ATOM 108 N ALA A 93 -5.920 -6.832 0.521 1.00 0.00 N ATOM 109 CA ALA A 93 -5.431 -5.721 1.373 1.00 0.00 C ATOM 110 C ALA A 93 -5.314 -4.339 0.685 1.00 0.00 C ATOM 111 O ALA A 93 -5.957 -3.399 1.162 1.00 0.00 O ATOM 112 CB ALA A 93 -4.123 -6.150 2.067 1.00 0.00 C ATOM 0 H ALA A 93 -5.241 -7.572 0.342 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.208 -5.545 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.760 -5.336 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.310 -7.028 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.373 -6.389 1.313 1.00 0.00 H new ATOM 118 N PHE A 94 -4.570 -4.212 -0.429 1.00 0.00 N ATOM 119 CA PHE A 94 -4.431 -2.917 -1.155 1.00 0.00 C ATOM 120 C PHE A 94 -5.742 -2.390 -1.755 1.00 0.00 C ATOM 121 O PHE A 94 -6.029 -1.202 -1.590 1.00 0.00 O ATOM 122 CB PHE A 94 -3.397 -3.029 -2.311 1.00 0.00 C ATOM 123 CG PHE A 94 -2.983 -1.717 -3.013 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.865 -1.088 -3.898 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.774 -1.090 -2.707 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.585 0.175 -4.393 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.443 0.126 -3.294 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.365 0.774 -4.113 1.00 0.00 C ATOM 0 H PHE A 94 -4.053 -4.983 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.098 -2.213 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.497 -3.500 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.804 -3.703 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.772 -1.592 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.091 -1.553 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.316 0.693 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.474 0.567 -3.116 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.130 1.742 -4.530 1.00 0.00 H new ATOM 138 N LYS A 95 -6.474 -3.231 -2.510 1.00 0.00 N ATOM 139 CA LYS A 95 -7.741 -2.782 -3.137 1.00 0.00 C ATOM 140 C LYS A 95 -8.827 -2.490 -2.020 1.00 0.00 C ATOM 141 O LYS A 95 -9.726 -1.699 -2.318 1.00 0.00 O ATOM 142 CB LYS A 95 -8.083 -3.672 -4.371 1.00 0.00 C ATOM 143 CG LYS A 95 -6.901 -3.897 -5.395 1.00 0.00 C ATOM 144 CD LYS A 95 -7.359 -4.313 -6.815 1.00 0.00 C ATOM 145 CE LYS A 95 -6.284 -5.134 -7.558 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.627 -5.431 -8.972 1.00 0.00 N ATOM 0 H LYS A 95 -6.223 -4.201 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.670 -1.804 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.421 -4.645 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.920 -3.220 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.319 -2.978 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.236 -4.665 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.275 -4.899 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.597 -3.421 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.340 -4.589 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.126 -6.073 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.861 -5.984 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.511 -5.977 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.750 -4.540 -9.494 1.00 0.00 H new ATOM 160 N VAL A 96 -8.757 -3.044 -0.758 1.00 0.00 N ATOM 161 CA VAL A 96 -9.619 -2.550 0.369 1.00 0.00 C ATOM 162 C VAL A 96 -9.115 -1.118 0.756 1.00 0.00 C ATOM 163 O VAL A 96 -9.920 -0.192 0.883 1.00 0.00 O ATOM 164 CB VAL A 96 -9.583 -3.464 1.657 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.872 -2.829 3.051 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.608 -4.550 1.465 1.00 0.00 C ATOM 0 H VAL A 96 -8.131 -3.809 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.651 -2.557 0.018 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.540 -3.775 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.806 -3.597 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.140 -2.048 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.873 -2.398 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.613 -5.204 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.594 -4.102 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.360 -5.131 0.577 1.00 0.00 H new ATOM 176 N PHE A 97 -7.786 -0.985 0.960 1.00 0.00 N ATOM 177 CA PHE A 97 -7.124 0.260 1.361 1.00 0.00 C ATOM 178 C PHE A 97 -7.364 1.548 0.478 1.00 0.00 C ATOM 179 O PHE A 97 -7.416 2.665 0.996 1.00 0.00 O ATOM 180 CB PHE A 97 -5.616 -0.107 1.502 1.00 0.00 C ATOM 181 CG PHE A 97 -4.947 0.622 2.647 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.481 1.904 2.403 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.857 0.078 3.939 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.949 2.649 3.427 1.00 0.00 C ATOM 185 CE2 PHE A 97 -4.329 0.845 4.977 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.886 2.142 4.722 1.00 0.00 C ATOM 0 H PHE A 97 -7.136 -1.762 0.846 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.581 0.598 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.520 -1.182 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.099 0.131 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.536 2.318 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.195 -0.930 4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.574 3.642 3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.264 0.436 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.496 2.750 5.525 1.00 0.00 H new ATOM 196 N ASP A 98 -7.496 1.353 -0.847 1.00 0.00 N ATOM 197 CA ASP A 98 -7.753 2.380 -1.893 1.00 0.00 C ATOM 198 C ASP A 98 -9.045 3.272 -1.673 1.00 0.00 C ATOM 199 O ASP A 98 -10.129 2.768 -1.353 1.00 0.00 O ATOM 200 CB ASP A 98 -7.711 1.481 -3.171 1.00 0.00 C ATOM 201 CG ASP A 98 -8.410 1.949 -4.432 1.00 0.00 C ATOM 202 OD1 ASP A 98 -8.444 3.163 -4.744 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.914 1.074 -5.176 1.00 0.00 O ATOM 0 H ASP A 98 -7.423 0.418 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.035 3.200 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.663 1.315 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.132 0.512 -2.904 1.00 0.00 H new ATOM 208 N ALA A 99 -8.890 4.604 -1.861 1.00 0.00 N ATOM 209 CA ALA A 99 -9.987 5.613 -1.716 1.00 0.00 C ATOM 210 C ALA A 99 -11.119 5.528 -2.787 1.00 0.00 C ATOM 211 O ALA A 99 -12.286 5.309 -2.451 1.00 0.00 O ATOM 212 CB ALA A 99 -9.395 7.054 -1.783 1.00 0.00 C ATOM 0 H ALA A 99 -7.996 5.020 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.439 5.384 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.199 7.783 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.674 7.189 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.898 7.199 -2.742 1.00 0.00 H new ATOM 218 N ASN A 100 -10.737 5.710 -4.065 1.00 0.00 N ATOM 219 CA ASN A 100 -11.675 5.723 -5.224 1.00 0.00 C ATOM 220 C ASN A 100 -12.229 4.344 -5.726 1.00 0.00 C ATOM 221 O ASN A 100 -13.275 4.341 -6.385 1.00 0.00 O ATOM 222 CB ASN A 100 -11.052 6.526 -6.429 1.00 0.00 C ATOM 223 CG ASN A 100 -11.819 6.513 -7.780 1.00 0.00 C ATOM 224 OD1 ASN A 100 -11.576 5.592 -8.564 1.00 0.00 O ATOM 225 ND2 ASN A 100 -12.769 7.397 -8.080 1.00 0.00 N ATOM 0 H ASN A 100 -9.764 5.854 -4.334 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.557 6.220 -4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.940 7.564 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.050 6.137 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -13.290 7.310 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.976 8.161 -7.437 1.00 0.00 H new ATOM 232 N GLY A 101 -11.609 3.200 -5.412 1.00 0.00 N ATOM 233 CA GLY A 101 -12.013 1.895 -5.988 1.00 0.00 C ATOM 234 C GLY A 101 -11.418 1.591 -7.406 1.00 0.00 C ATOM 235 O GLY A 101 -11.734 0.527 -7.944 1.00 0.00 O ATOM 0 H GLY A 101 -10.824 3.143 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.709 1.102 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.101 1.862 -6.051 1.00 0.00 H new ATOM 239 N ASP A 102 -10.538 2.454 -7.987 1.00 0.00 N ATOM 240 CA ASP A 102 -9.815 2.189 -9.264 1.00 0.00 C ATOM 241 C ASP A 102 -8.407 1.502 -9.057 1.00 0.00 C ATOM 242 O ASP A 102 -7.873 0.906 -10.001 1.00 0.00 O ATOM 243 CB ASP A 102 -9.690 3.487 -10.115 1.00 0.00 C ATOM 244 CG ASP A 102 -8.837 4.663 -9.598 1.00 0.00 C ATOM 245 OD1 ASP A 102 -8.287 4.607 -8.477 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.728 5.661 -10.341 1.00 0.00 O ATOM 0 H ASP A 102 -10.309 3.360 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.422 1.470 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.293 3.200 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.699 3.865 -10.281 1.00 0.00 H new ATOM 251 N GLY A 103 -7.849 1.556 -7.829 1.00 0.00 N ATOM 252 CA GLY A 103 -6.547 1.002 -7.456 1.00 0.00 C ATOM 253 C GLY A 103 -5.446 2.006 -7.066 1.00 0.00 C ATOM 254 O GLY A 103 -4.288 1.617 -7.234 1.00 0.00 O ATOM 0 H GLY A 103 -8.319 2.007 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.696 0.320 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.181 0.405 -8.291 1.00 0.00 H new ATOM 258 N VAL A 104 -5.742 3.249 -6.592 1.00 0.00 N ATOM 259 CA VAL A 104 -4.680 4.228 -6.192 1.00 0.00 C ATOM 260 C VAL A 104 -4.961 4.753 -4.736 1.00 0.00 C ATOM 261 O VAL A 104 -6.091 5.064 -4.346 1.00 0.00 O ATOM 262 CB VAL A 104 -4.437 5.429 -7.182 1.00 0.00 C ATOM 263 CG1 VAL A 104 -2.982 5.949 -7.160 1.00 0.00 C ATOM 264 CG2 VAL A 104 -4.674 5.071 -8.653 1.00 0.00 C ATOM 0 H VAL A 104 -6.694 3.597 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.748 3.665 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.150 6.172 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.880 6.776 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.734 6.294 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.304 5.145 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.488 5.946 -9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.998 4.267 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.705 4.744 -8.786 1.00 0.00 H new ATOM 274 N ILE A 105 -3.863 4.859 -3.972 1.00 0.00 N ATOM 275 CA ILE A 105 -3.807 5.325 -2.558 1.00 0.00 C ATOM 276 C ILE A 105 -2.924 6.613 -2.465 1.00 0.00 C ATOM 277 O ILE A 105 -1.823 6.676 -3.016 1.00 0.00 O ATOM 278 CB ILE A 105 -3.153 4.257 -1.596 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.858 2.874 -1.579 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.079 4.754 -0.115 1.00 0.00 C ATOM 281 CD1 ILE A 105 -2.980 1.781 -0.954 1.00 0.00 C ATOM 0 H ILE A 105 -2.940 4.613 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.837 5.506 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.156 4.132 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.791 2.951 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.119 2.589 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.622 3.983 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.479 5.663 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.085 4.963 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.517 0.832 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.058 1.683 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.741 2.050 0.075 1.00 0.00 H new ATOM 293 N ASP A 106 -3.391 7.576 -1.655 1.00 0.00 N ATOM 294 CA ASP A 106 -2.684 8.849 -1.346 1.00 0.00 C ATOM 295 C ASP A 106 -2.181 8.864 0.157 1.00 0.00 C ATOM 296 O ASP A 106 -2.198 7.844 0.857 1.00 0.00 O ATOM 297 CB ASP A 106 -3.630 10.030 -1.728 1.00 0.00 C ATOM 298 CG ASP A 106 -4.880 10.228 -0.856 1.00 0.00 C ATOM 299 OD1 ASP A 106 -4.766 10.780 0.258 1.00 0.00 O ATOM 300 OD2 ASP A 106 -5.976 9.810 -1.284 1.00 0.00 O ATOM 0 H ASP A 106 -4.291 7.499 -1.181 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.774 8.955 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.049 10.952 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.954 9.885 -2.759 1.00 0.00 H new ATOM 305 N PHE A 107 -1.707 10.023 0.660 1.00 0.00 N ATOM 306 CA PHE A 107 -1.233 10.166 2.068 1.00 0.00 C ATOM 307 C PHE A 107 -2.369 10.384 3.107 1.00 0.00 C ATOM 308 O PHE A 107 -2.430 9.635 4.090 1.00 0.00 O ATOM 309 CB PHE A 107 -0.114 11.251 2.132 1.00 0.00 C ATOM 310 CG PHE A 107 0.476 11.576 3.524 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.929 10.559 4.375 1.00 0.00 C ATOM 312 CD2 PHE A 107 0.472 12.899 3.985 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.331 10.860 5.673 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.906 13.198 5.274 1.00 0.00 C ATOM 315 CZ PHE A 107 1.333 12.176 6.118 1.00 0.00 C ATOM 0 H PHE A 107 -1.639 10.882 0.115 1.00 0.00 H new ATOM 0 HA PHE A 107 -0.806 9.210 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 107 0.703 10.932 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.513 12.173 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.966 9.539 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.130 13.692 3.337 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.643 10.067 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.911 14.221 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.666 12.407 7.119 1.00 0.00 H new ATOM 325 N ASP A 108 -3.227 11.404 2.917 1.00 0.00 N ATOM 326 CA ASP A 108 -4.366 11.688 3.849 1.00 0.00 C ATOM 327 C ASP A 108 -5.385 10.494 3.948 1.00 0.00 C ATOM 328 O ASP A 108 -5.747 10.142 5.080 1.00 0.00 O ATOM 329 CB ASP A 108 -5.023 13.066 3.558 1.00 0.00 C ATOM 330 CG ASP A 108 -4.131 14.292 3.829 1.00 0.00 C ATOM 331 OD1 ASP A 108 -3.570 14.413 4.946 1.00 0.00 O ATOM 332 OD2 ASP A 108 -3.995 15.145 2.929 1.00 0.00 O ATOM 0 H ASP A 108 -3.164 12.052 2.132 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.948 11.771 4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.335 13.088 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.926 13.154 4.162 1.00 0.00 H new ATOM 337 N GLU A 109 -5.800 9.831 2.833 1.00 0.00 N ATOM 338 CA GLU A 109 -6.667 8.612 2.904 1.00 0.00 C ATOM 339 C GLU A 109 -5.975 7.470 3.720 1.00 0.00 C ATOM 340 O GLU A 109 -6.645 6.847 4.542 1.00 0.00 O ATOM 341 CB GLU A 109 -7.081 8.081 1.502 1.00 0.00 C ATOM 342 CG GLU A 109 -7.941 6.772 1.510 1.00 0.00 C ATOM 343 CD GLU A 109 -9.389 6.918 1.975 1.00 0.00 C ATOM 344 OE1 GLU A 109 -10.182 7.597 1.291 1.00 0.00 O ATOM 345 OE2 GLU A 109 -9.743 6.338 3.021 1.00 0.00 O ATOM 0 H GLU A 109 -5.554 10.113 1.884 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.576 8.922 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.641 8.861 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.178 7.899 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.945 6.359 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.447 6.042 2.151 1.00 0.00 H new ATOM 352 N PHE A 110 -4.664 7.193 3.502 1.00 0.00 N ATOM 353 CA PHE A 110 -3.918 6.146 4.260 1.00 0.00 C ATOM 354 C PHE A 110 -3.934 6.484 5.780 1.00 0.00 C ATOM 355 O PHE A 110 -4.355 5.635 6.564 1.00 0.00 O ATOM 356 CB PHE A 110 -2.476 6.033 3.656 1.00 0.00 C ATOM 357 CG PHE A 110 -1.533 4.852 4.009 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.301 4.427 5.323 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.846 4.213 2.966 1.00 0.00 C ATOM 360 CE1 PHE A 110 -0.398 3.400 5.589 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.046 3.177 3.230 1.00 0.00 C ATOM 362 CZ PHE A 110 0.274 2.777 4.541 1.00 0.00 C ATOM 0 H PHE A 110 -4.098 7.679 2.807 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.391 5.169 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.587 6.035 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.949 6.949 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.828 4.900 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.011 4.528 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.219 3.087 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.560 2.685 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.974 1.981 4.747 1.00 0.00 H new ATOM 372 N LYS A 111 -3.546 7.718 6.170 1.00 0.00 N ATOM 373 CA LYS A 111 -3.613 8.192 7.586 1.00 0.00 C ATOM 374 C LYS A 111 -5.023 8.013 8.261 1.00 0.00 C ATOM 375 O LYS A 111 -5.093 7.588 9.420 1.00 0.00 O ATOM 376 CB LYS A 111 -3.101 9.652 7.489 1.00 0.00 C ATOM 377 CG LYS A 111 -3.059 10.508 8.773 1.00 0.00 C ATOM 378 CD LYS A 111 -2.327 11.860 8.590 1.00 0.00 C ATOM 379 CE LYS A 111 -2.703 12.660 7.321 1.00 0.00 C ATOM 380 NZ LYS A 111 -2.192 14.047 7.388 1.00 0.00 N ATOM 0 H LYS A 111 -3.179 8.416 5.523 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.004 7.595 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.092 9.622 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.725 10.174 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.079 10.698 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.566 9.941 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.528 12.482 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.254 11.672 8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.296 12.162 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.787 12.675 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.446 14.553 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.613 14.533 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.157 14.031 7.491 1.00 0.00 H new ATOM 394 N PHE A 112 -6.110 8.320 7.526 1.00 0.00 N ATOM 395 CA PHE A 112 -7.510 8.132 7.992 1.00 0.00 C ATOM 396 C PHE A 112 -7.939 6.619 8.107 1.00 0.00 C ATOM 397 O PHE A 112 -8.423 6.192 9.158 1.00 0.00 O ATOM 398 CB PHE A 112 -8.388 8.966 7.000 1.00 0.00 C ATOM 399 CG PHE A 112 -9.909 8.745 7.045 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.673 9.299 8.074 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.532 7.949 6.076 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.047 9.079 8.125 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.906 7.728 6.129 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.663 8.295 7.151 1.00 0.00 C ATOM 0 H PHE A 112 -6.047 8.708 6.585 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.637 8.484 9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.195 10.023 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.046 8.753 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.196 9.901 8.834 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.945 7.505 5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.635 9.516 8.919 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.384 7.117 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.729 8.127 7.189 1.00 0.00 H new ATOM 414 N ILE A 113 -7.770 5.843 7.019 1.00 0.00 N ATOM 415 CA ILE A 113 -8.160 4.404 6.907 1.00 0.00 C ATOM 416 C ILE A 113 -7.318 3.342 7.665 1.00 0.00 C ATOM 417 O ILE A 113 -7.848 2.279 7.999 1.00 0.00 O ATOM 418 CB ILE A 113 -8.285 4.091 5.367 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.531 3.208 5.087 1.00 0.00 C ATOM 420 CG2 ILE A 113 -7.031 3.537 4.691 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.870 2.903 3.618 1.00 0.00 C ATOM 0 H ILE A 113 -7.347 6.201 6.163 1.00 0.00 H new ATOM 0 HA ILE A 113 -9.102 4.300 7.446 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.414 5.065 4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -9.394 2.259 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.396 3.694 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.235 3.360 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.218 4.256 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.745 2.599 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.762 2.278 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.053 3.836 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -9.035 2.378 3.153 1.00 0.00 H new ATOM 433 N MET A 114 -6.018 3.623 7.868 1.00 0.00 N ATOM 434 CA MET A 114 -5.059 2.752 8.607 1.00 0.00 C ATOM 435 C MET A 114 -5.651 2.223 9.946 1.00 0.00 C ATOM 436 O MET A 114 -5.633 1.015 10.186 1.00 0.00 O ATOM 437 CB MET A 114 -3.760 3.583 8.818 1.00 0.00 C ATOM 438 CG MET A 114 -2.649 2.961 9.675 1.00 0.00 C ATOM 439 SD MET A 114 -1.599 1.877 8.683 1.00 0.00 S ATOM 440 CE MET A 114 -2.197 0.243 9.160 1.00 0.00 C ATOM 0 H MET A 114 -5.586 4.479 7.519 1.00 0.00 H new ATOM 0 HA MET A 114 -4.841 1.854 8.029 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.342 3.807 7.837 1.00 0.00 H new ATOM 0 HB3 MET A 114 -4.040 4.535 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 114 -2.044 3.750 10.122 1.00 0.00 H new ATOM 0 HG3 MET A 114 -3.091 2.395 10.495 1.00 0.00 H new ATOM 0 HE1 MET A 114 -1.636 -0.521 8.622 1.00 0.00 H new ATOM 0 HE2 MET A 114 -2.062 0.105 10.233 1.00 0.00 H new ATOM 0 HE3 MET A 114 -3.255 0.157 8.913 1.00 0.00 H new ATOM 575 N THR A 123 0.220 8.621 13.687 1.00 0.00 N ATOM 576 CA THR A 123 0.917 9.920 13.623 1.00 0.00 C ATOM 577 C THR A 123 1.230 10.170 12.110 1.00 0.00 C ATOM 578 O THR A 123 1.338 9.239 11.298 1.00 0.00 O ATOM 579 CB THR A 123 2.249 10.045 14.427 1.00 0.00 C ATOM 580 OG1 THR A 123 3.326 9.352 13.821 1.00 0.00 O ATOM 581 CG2 THR A 123 2.241 9.695 15.918 1.00 0.00 C ATOM 0 HA THR A 123 0.255 10.650 14.088 1.00 0.00 H new ATOM 0 HB THR A 123 2.382 11.126 14.385 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.134 9.465 14.364 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.241 9.834 16.330 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.540 10.346 16.441 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.937 8.656 16.046 1.00 0.00 H new ATOM 589 N ASP A 124 1.442 11.444 11.730 1.00 0.00 N ATOM 590 CA ASP A 124 1.856 11.799 10.340 1.00 0.00 C ATOM 591 C ASP A 124 3.272 11.230 9.988 1.00 0.00 C ATOM 592 O ASP A 124 3.464 10.779 8.858 1.00 0.00 O ATOM 593 CB ASP A 124 1.761 13.333 10.101 1.00 0.00 C ATOM 594 CG ASP A 124 0.386 13.836 9.664 1.00 0.00 C ATOM 595 OD1 ASP A 124 -0.531 13.942 10.504 1.00 0.00 O ATOM 596 OD2 ASP A 124 0.203 14.123 8.459 1.00 0.00 O ATOM 0 H ASP A 124 1.337 12.245 12.352 1.00 0.00 H new ATOM 0 HA ASP A 124 1.155 11.322 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.044 13.847 11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 124 2.491 13.613 9.342 1.00 0.00 H new ATOM 601 N ALA A 125 4.224 11.207 10.948 1.00 0.00 N ATOM 602 CA ALA A 125 5.573 10.630 10.763 1.00 0.00 C ATOM 603 C ALA A 125 5.546 9.087 10.538 1.00 0.00 C ATOM 604 O ALA A 125 6.163 8.640 9.564 1.00 0.00 O ATOM 605 CB ALA A 125 6.411 11.046 11.977 1.00 0.00 C ATOM 0 H ALA A 125 4.075 11.592 11.881 1.00 0.00 H new ATOM 0 HA ALA A 125 6.025 11.017 9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.418 10.640 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.462 12.134 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.950 10.661 12.887 1.00 0.00 H new ATOM 611 N GLU A 126 4.839 8.280 11.382 1.00 0.00 N ATOM 612 CA GLU A 126 4.715 6.799 11.166 1.00 0.00 C ATOM 613 C GLU A 126 4.083 6.447 9.776 1.00 0.00 C ATOM 614 O GLU A 126 4.613 5.592 9.052 1.00 0.00 O ATOM 615 CB GLU A 126 3.907 6.065 12.281 1.00 0.00 C ATOM 616 CG GLU A 126 4.358 6.264 13.747 1.00 0.00 C ATOM 617 CD GLU A 126 3.944 5.168 14.720 1.00 0.00 C ATOM 618 OE1 GLU A 126 4.505 4.056 14.647 1.00 0.00 O ATOM 619 OE2 GLU A 126 3.068 5.427 15.571 1.00 0.00 O ATOM 0 H GLU A 126 4.350 8.621 12.210 1.00 0.00 H new ATOM 0 HA GLU A 126 5.744 6.442 11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.867 6.382 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.932 4.997 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.445 6.349 13.765 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.958 7.213 14.105 1.00 0.00 H new ATOM 626 N VAL A 127 2.976 7.140 9.413 1.00 0.00 N ATOM 627 CA VAL A 127 2.278 6.950 8.122 1.00 0.00 C ATOM 628 C VAL A 127 3.143 7.478 6.936 1.00 0.00 C ATOM 629 O VAL A 127 3.192 6.771 5.933 1.00 0.00 O ATOM 630 CB VAL A 127 0.835 7.558 8.187 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.081 7.375 6.855 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.053 6.956 9.310 1.00 0.00 C ATOM 0 H VAL A 127 2.544 7.846 10.009 1.00 0.00 H new ATOM 0 HA VAL A 127 2.147 5.885 7.931 1.00 0.00 H new ATOM 0 HB VAL A 127 1.000 8.614 8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.915 7.809 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.628 7.874 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.004 6.312 6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.035 7.428 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -0.163 5.883 9.151 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.415 7.134 10.278 1.00 0.00 H new ATOM 642 N GLU A 128 3.806 8.656 7.004 1.00 0.00 N ATOM 643 CA GLU A 128 4.683 9.155 5.900 1.00 0.00 C ATOM 644 C GLU A 128 5.915 8.223 5.647 1.00 0.00 C ATOM 645 O GLU A 128 6.208 7.926 4.483 1.00 0.00 O ATOM 646 CB GLU A 128 5.034 10.639 6.204 1.00 0.00 C ATOM 647 CG GLU A 128 5.793 11.437 5.116 1.00 0.00 C ATOM 648 CD GLU A 128 5.024 11.726 3.835 1.00 0.00 C ATOM 649 OE1 GLU A 128 4.105 12.568 3.849 1.00 0.00 O ATOM 650 OE2 GLU A 128 5.381 11.143 2.788 1.00 0.00 O ATOM 0 H GLU A 128 3.755 9.283 7.807 1.00 0.00 H new ATOM 0 HA GLU A 128 4.156 9.124 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.104 11.166 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.632 10.662 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.110 12.387 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.697 10.887 4.856 1.00 0.00 H new ATOM 657 N GLU A 129 6.612 7.737 6.702 1.00 0.00 N ATOM 658 CA GLU A 129 7.737 6.779 6.549 1.00 0.00 C ATOM 659 C GLU A 129 7.225 5.413 5.964 1.00 0.00 C ATOM 660 O GLU A 129 7.723 5.012 4.904 1.00 0.00 O ATOM 661 CB GLU A 129 8.523 6.684 7.881 1.00 0.00 C ATOM 662 CG GLU A 129 9.884 5.941 7.753 1.00 0.00 C ATOM 663 CD GLU A 129 10.893 6.256 8.849 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.812 5.652 9.939 1.00 0.00 O ATOM 665 OE2 GLU A 129 11.766 7.121 8.623 1.00 0.00 O ATOM 0 H GLU A 129 6.416 7.992 7.670 1.00 0.00 H new ATOM 0 HA GLU A 129 8.456 7.136 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.703 7.690 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.907 6.171 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.696 4.867 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.328 6.190 6.789 1.00 0.00 H new ATOM 672 N ALA A 130 6.190 4.766 6.567 1.00 0.00 N ATOM 673 CA ALA A 130 5.623 3.493 6.037 1.00 0.00 C ATOM 674 C ALA A 130 5.034 3.571 4.591 1.00 0.00 C ATOM 675 O ALA A 130 5.289 2.670 3.786 1.00 0.00 O ATOM 676 CB ALA A 130 4.577 2.952 7.030 1.00 0.00 C ATOM 0 H ALA A 130 5.734 5.102 7.415 1.00 0.00 H new ATOM 0 HA ALA A 130 6.464 2.805 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.159 2.021 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.052 2.767 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.779 3.684 7.153 1.00 0.00 H new ATOM 682 N MET A 131 4.270 4.640 4.265 1.00 0.00 N ATOM 683 CA MET A 131 3.692 4.855 2.910 1.00 0.00 C ATOM 684 C MET A 131 4.793 5.193 1.868 1.00 0.00 C ATOM 685 O MET A 131 4.695 4.676 0.754 1.00 0.00 O ATOM 686 CB MET A 131 2.578 5.928 3.043 1.00 0.00 C ATOM 687 CG MET A 131 1.788 6.249 1.773 1.00 0.00 C ATOM 688 SD MET A 131 2.810 7.262 0.687 1.00 0.00 S ATOM 689 CE MET A 131 1.733 7.370 -0.742 1.00 0.00 C ATOM 0 H MET A 131 4.035 5.378 4.929 1.00 0.00 H new ATOM 0 HA MET A 131 3.239 3.943 2.522 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.875 5.598 3.808 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.033 6.850 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.499 5.328 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 131 0.868 6.777 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.302 7.146 -1.644 1.00 0.00 H new ATOM 0 HE2 MET A 131 0.919 6.653 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.322 8.377 -0.813 1.00 0.00 H new ATOM 699 N LYS A 132 5.800 6.048 2.179 1.00 0.00 N ATOM 700 CA LYS A 132 6.932 6.315 1.246 1.00 0.00 C ATOM 701 C LYS A 132 7.800 5.024 1.019 1.00 0.00 C ATOM 702 O LYS A 132 8.249 4.820 -0.109 1.00 0.00 O ATOM 703 CB LYS A 132 7.682 7.555 1.756 1.00 0.00 C ATOM 704 CG LYS A 132 8.694 8.193 0.777 1.00 0.00 C ATOM 705 CD LYS A 132 9.449 9.415 1.364 1.00 0.00 C ATOM 706 CE LYS A 132 8.636 10.449 2.179 1.00 0.00 C ATOM 707 NZ LYS A 132 7.535 11.059 1.384 1.00 0.00 N ATOM 0 H LYS A 132 5.854 6.561 3.059 1.00 0.00 H new ATOM 0 HA LYS A 132 6.585 6.554 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.946 8.312 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.213 7.283 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.421 7.438 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.167 8.503 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.247 9.038 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 132 9.925 9.942 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.218 9.965 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.304 11.235 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.765 11.347 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.894 11.892 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.175 10.364 0.699 1.00 0.00 H new ATOM 721 N GLU A 133 8.029 4.148 2.036 1.00 0.00 N ATOM 722 CA GLU A 133 8.713 2.833 1.834 1.00 0.00 C ATOM 723 C GLU A 133 7.825 1.906 0.911 1.00 0.00 C ATOM 724 O GLU A 133 8.373 1.232 0.031 1.00 0.00 O ATOM 725 CB GLU A 133 9.059 2.179 3.194 1.00 0.00 C ATOM 726 CG GLU A 133 10.142 2.922 4.020 1.00 0.00 C ATOM 727 CD GLU A 133 10.351 2.361 5.414 1.00 0.00 C ATOM 728 OE1 GLU A 133 9.525 2.643 6.308 1.00 0.00 O ATOM 729 OE2 GLU A 133 11.346 1.634 5.618 1.00 0.00 O ATOM 0 H GLU A 133 7.752 4.325 3.002 1.00 0.00 H new ATOM 0 HA GLU A 133 9.662 2.988 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.149 2.113 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 133 9.397 1.158 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.087 2.882 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.865 3.973 4.101 1.00 0.00 H new ATOM 736 N ALA A 134 6.474 1.890 1.106 1.00 0.00 N ATOM 737 CA ALA A 134 5.520 1.156 0.223 1.00 0.00 C ATOM 738 C ALA A 134 5.449 1.720 -1.247 1.00 0.00 C ATOM 739 O ALA A 134 5.142 0.958 -2.168 1.00 0.00 O ATOM 740 CB ALA A 134 4.154 1.062 0.912 1.00 0.00 C ATOM 0 H ALA A 134 6.019 2.382 1.875 1.00 0.00 H new ATOM 0 HA ALA A 134 5.901 0.144 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.457 0.526 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.259 0.528 1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.773 2.065 1.103 1.00 0.00 H new ATOM 746 N ASP A 135 5.813 3.020 -1.439 1.00 0.00 N ATOM 747 CA ASP A 135 5.993 3.699 -2.741 1.00 0.00 C ATOM 748 C ASP A 135 7.494 3.428 -3.113 1.00 0.00 C ATOM 749 O ASP A 135 8.411 4.101 -2.629 1.00 0.00 O ATOM 750 CB ASP A 135 5.748 5.238 -2.617 1.00 0.00 C ATOM 751 CG ASP A 135 6.392 6.146 -3.707 1.00 0.00 C ATOM 752 OD1 ASP A 135 6.695 5.732 -4.825 1.00 0.00 O ATOM 753 OD2 ASP A 135 6.518 7.373 -3.394 1.00 0.00 O ATOM 0 H ASP A 135 5.995 3.643 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 135 5.291 3.333 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.672 5.411 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.117 5.563 -1.644 1.00 0.00 H new ATOM 758 N GLU A 136 7.773 2.471 -3.994 1.00 0.00 N ATOM 759 CA GLU A 136 9.178 2.212 -4.432 1.00 0.00 C ATOM 760 C GLU A 136 9.938 3.362 -5.175 1.00 0.00 C ATOM 761 O GLU A 136 11.167 3.289 -5.284 1.00 0.00 O ATOM 762 CB GLU A 136 9.204 0.893 -5.239 1.00 0.00 C ATOM 763 CG GLU A 136 9.132 -0.346 -4.313 1.00 0.00 C ATOM 764 CD GLU A 136 10.133 -1.500 -4.546 1.00 0.00 C ATOM 765 OE1 GLU A 136 11.038 -1.415 -5.400 1.00 0.00 O ATOM 766 OE2 GLU A 136 10.051 -2.511 -3.826 1.00 0.00 O ATOM 0 H GLU A 136 7.074 1.863 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 136 9.753 2.140 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.366 0.876 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.115 0.849 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.257 -0.001 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.126 -0.759 -4.390 1.00 0.00 H new ATOM 773 N ASP A 137 9.238 4.397 -5.686 1.00 0.00 N ATOM 774 CA ASP A 137 9.884 5.450 -6.520 1.00 0.00 C ATOM 775 C ASP A 137 10.143 6.888 -5.978 1.00 0.00 C ATOM 776 O ASP A 137 10.748 7.698 -6.697 1.00 0.00 O ATOM 777 CB ASP A 137 9.028 5.430 -7.811 1.00 0.00 C ATOM 778 CG ASP A 137 7.761 6.284 -7.862 1.00 0.00 C ATOM 779 OD1 ASP A 137 7.914 7.523 -7.881 1.00 0.00 O ATOM 780 OD2 ASP A 137 6.654 5.745 -8.065 1.00 0.00 O ATOM 0 H ASP A 137 8.237 4.531 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 137 10.938 5.189 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 137 9.668 5.738 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 137 8.738 4.396 -8.000 1.00 0.00 H new ATOM 785 N GLY A 138 9.720 7.201 -4.748 1.00 0.00 N ATOM 786 CA GLY A 138 9.880 8.547 -4.156 1.00 0.00 C ATOM 787 C GLY A 138 8.864 9.655 -4.558 1.00 0.00 C ATOM 788 O GLY A 138 9.059 10.794 -4.127 1.00 0.00 O ATOM 0 H GLY A 138 9.257 6.534 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.844 8.440 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.879 8.904 -4.408 1.00 0.00 H new ATOM 792 N ASN A 139 7.784 9.348 -5.315 1.00 0.00 N ATOM 793 CA ASN A 139 6.743 10.341 -5.690 1.00 0.00 C ATOM 794 C ASN A 139 5.718 10.649 -4.554 1.00 0.00 C ATOM 795 O ASN A 139 5.302 11.808 -4.461 1.00 0.00 O ATOM 796 CB ASN A 139 5.976 9.965 -7.001 1.00 0.00 C ATOM 797 CG ASN A 139 4.958 8.767 -6.969 1.00 0.00 C ATOM 798 OD1 ASN A 139 5.149 7.826 -6.203 1.00 0.00 O ATOM 799 ND2 ASN A 139 3.866 8.689 -7.735 1.00 0.00 N ATOM 0 H ASN A 139 7.608 8.413 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 139 7.315 11.251 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.432 10.851 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 139 6.720 9.745 -7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 139 3.249 7.880 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.650 9.438 -8.393 1.00 0.00 H new ATOM 806 N GLY A 140 5.302 9.661 -3.723 1.00 0.00 N ATOM 807 CA GLY A 140 4.288 9.922 -2.667 1.00 0.00 C ATOM 808 C GLY A 140 2.811 9.567 -3.001 1.00 0.00 C ATOM 809 O GLY A 140 1.901 10.130 -2.386 1.00 0.00 O ATOM 0 H GLY A 140 5.641 8.700 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.577 9.365 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.332 10.980 -2.410 1.00 0.00 H new ATOM 813 N VAL A 141 2.578 8.669 -3.975 1.00 0.00 N ATOM 814 CA VAL A 141 1.244 8.156 -4.390 1.00 0.00 C ATOM 815 C VAL A 141 1.548 6.729 -4.881 1.00 0.00 C ATOM 816 O VAL A 141 2.577 6.434 -5.510 1.00 0.00 O ATOM 817 CB VAL A 141 0.415 8.927 -5.463 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.068 8.826 -5.152 1.00 0.00 C ATOM 819 CG2 VAL A 141 0.702 10.427 -5.532 1.00 0.00 C ATOM 0 H VAL A 141 3.337 8.260 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 141 0.581 8.260 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 141 0.701 8.460 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -1.636 9.368 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.370 7.779 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -1.264 9.259 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 141 0.081 10.881 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 141 0.476 10.885 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 141 1.753 10.586 -5.772 1.00 0.00 H new ATOM 829 N ILE A 142 0.572 5.856 -4.617 1.00 0.00 N ATOM 830 CA ILE A 142 0.699 4.436 -4.932 1.00 0.00 C ATOM 831 C ILE A 142 -0.460 3.811 -5.725 1.00 0.00 C ATOM 832 O ILE A 142 -1.616 3.939 -5.359 1.00 0.00 O ATOM 833 CB ILE A 142 0.853 3.540 -3.642 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.384 4.156 -2.311 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.723 2.331 -4.003 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.802 3.140 -1.232 1.00 0.00 C ATOM 0 H ILE A 142 -0.316 6.112 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 142 1.594 4.438 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.183 3.318 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.241 4.790 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.611 4.803 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.844 1.695 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.243 1.762 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.701 2.674 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.155 3.672 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.946 2.521 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.601 2.507 -1.618 1.00 0.00 H new ATOM 848 N ASP A 143 -0.076 3.051 -6.740 1.00 0.00 N ATOM 849 CA ASP A 143 -0.943 2.162 -7.528 1.00 0.00 C ATOM 850 C ASP A 143 -0.595 0.722 -6.995 1.00 0.00 C ATOM 851 O ASP A 143 0.421 0.495 -6.316 1.00 0.00 O ATOM 852 CB ASP A 143 -0.717 2.376 -9.037 1.00 0.00 C ATOM 853 CG ASP A 143 0.714 2.302 -9.596 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.585 1.589 -9.031 1.00 0.00 O ATOM 855 OD2 ASP A 143 0.962 2.996 -10.601 1.00 0.00 O ATOM 0 H ASP A 143 0.893 3.030 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.010 2.353 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.316 1.636 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -1.120 3.355 -9.294 1.00 0.00 H new ATOM 860 N ILE A 144 -1.410 -0.308 -7.277 1.00 0.00 N ATOM 861 CA ILE A 144 -1.110 -1.694 -6.772 1.00 0.00 C ATOM 862 C ILE A 144 0.344 -2.179 -7.144 1.00 0.00 C ATOM 863 O ILE A 144 0.980 -2.664 -6.205 1.00 0.00 O ATOM 864 CB ILE A 144 -2.150 -2.788 -7.243 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.643 -2.363 -7.098 1.00 0.00 C ATOM 866 CG2 ILE A 144 -1.923 -4.236 -6.683 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.429 -2.371 -8.418 1.00 0.00 C ATOM 0 H ILE A 144 -2.261 -0.232 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.191 -1.596 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 144 -1.929 -2.847 -8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.133 -3.033 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.685 -1.362 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -2.694 -4.901 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -0.942 -4.597 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -1.975 -4.217 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.458 -2.064 -8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.966 -1.679 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.422 -3.376 -8.840 1.00 0.00 H new ATOM 879 N PRO A 145 0.924 -2.036 -8.385 1.00 0.00 N ATOM 880 CA PRO A 145 2.303 -2.463 -8.706 1.00 0.00 C ATOM 881 C PRO A 145 3.458 -2.011 -7.771 1.00 0.00 C ATOM 882 O PRO A 145 4.353 -2.832 -7.593 1.00 0.00 O ATOM 883 CB PRO A 145 2.501 -2.050 -10.171 1.00 0.00 C ATOM 884 CG PRO A 145 1.087 -2.012 -10.747 1.00 0.00 C ATOM 885 CD PRO A 145 0.262 -1.488 -9.583 1.00 0.00 C ATOM 0 HA PRO A 145 2.379 -3.537 -8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.988 -1.078 -10.248 1.00 0.00 H new ATOM 0 HB3 PRO A 145 3.129 -2.764 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 145 1.022 -1.357 -11.616 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.754 -2.999 -11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.248 -0.398 -9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.774 -1.819 -9.650 1.00 0.00 H new ATOM 893 N GLU A 146 3.470 -0.799 -7.154 1.00 0.00 N ATOM 894 CA GLU A 146 4.598 -0.401 -6.241 1.00 0.00 C ATOM 895 C GLU A 146 4.564 -1.163 -4.845 1.00 0.00 C ATOM 896 O GLU A 146 5.608 -1.660 -4.408 1.00 0.00 O ATOM 897 CB GLU A 146 4.726 1.131 -6.180 1.00 0.00 C ATOM 898 CG GLU A 146 5.002 1.832 -7.554 1.00 0.00 C ATOM 899 CD GLU A 146 6.157 1.391 -8.472 1.00 0.00 C ATOM 900 OE1 GLU A 146 7.118 0.719 -8.045 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.093 1.696 -9.681 1.00 0.00 O ATOM 0 H GLU A 146 2.740 -0.094 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 146 5.540 -0.747 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.807 1.540 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.532 1.385 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.086 1.751 -8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.153 2.891 -7.343 1.00 0.00 H new ATOM 908 N PHE A 147 3.401 -1.285 -4.147 1.00 0.00 N ATOM 909 CA PHE A 147 3.222 -2.108 -2.899 1.00 0.00 C ATOM 910 C PHE A 147 3.629 -3.603 -3.150 1.00 0.00 C ATOM 911 O PHE A 147 4.437 -4.186 -2.406 1.00 0.00 O ATOM 912 CB PHE A 147 1.752 -1.924 -2.391 1.00 0.00 C ATOM 913 CG PHE A 147 1.090 -3.056 -1.560 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.390 -3.248 -0.207 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.162 -3.905 -2.180 1.00 0.00 C ATOM 916 CE1 PHE A 147 0.756 -4.267 0.510 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.486 -4.899 -1.449 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.197 -5.070 -0.104 1.00 0.00 C ATOM 0 H PHE A 147 2.544 -0.811 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 147 3.889 -1.765 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.724 -1.016 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.123 -1.747 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.110 -2.610 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.052 -3.788 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.009 -4.431 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -1.213 -5.536 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.713 -5.828 0.467 1.00 0.00 H new ATOM 928 N MET A 148 3.052 -4.210 -4.216 1.00 0.00 N ATOM 929 CA MET A 148 3.404 -5.594 -4.604 1.00 0.00 C ATOM 930 C MET A 148 4.947 -5.711 -4.964 1.00 0.00 C ATOM 931 O MET A 148 5.656 -6.641 -4.513 1.00 0.00 O ATOM 932 CB MET A 148 2.397 -6.165 -5.612 1.00 0.00 C ATOM 933 CG MET A 148 2.095 -5.640 -7.013 1.00 0.00 C ATOM 934 SD MET A 148 1.651 -7.029 -8.089 1.00 0.00 S ATOM 935 CE MET A 148 0.258 -7.819 -7.240 1.00 0.00 C ATOM 0 H MET A 148 2.352 -3.770 -4.813 1.00 0.00 H new ATOM 0 HA MET A 148 3.298 -6.266 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 148 2.687 -7.206 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 148 1.439 -6.168 -5.092 1.00 0.00 H new ATOM 0 HG2 MET A 148 1.279 -4.918 -6.976 1.00 0.00 H new ATOM 0 HG3 MET A 148 2.964 -5.118 -7.414 1.00 0.00 H new ATOM 0 HE1 MET A 148 -0.271 -8.469 -7.937 1.00 0.00 H new ATOM 0 HE2 MET A 148 0.630 -8.410 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.424 -7.053 -6.869 1.00 0.00 H new ATOM 945 N ASP A 149 5.510 -4.669 -5.658 1.00 0.00 N ATOM 946 CA ASP A 149 6.974 -4.546 -5.916 1.00 0.00 C ATOM 947 C ASP A 149 7.658 -4.679 -4.547 1.00 0.00 C ATOM 948 O ASP A 149 8.322 -5.692 -4.528 1.00 0.00 O ATOM 949 CB ASP A 149 7.475 -3.275 -6.628 1.00 0.00 C ATOM 950 CG ASP A 149 8.837 -3.391 -7.326 1.00 0.00 C ATOM 951 OD1 ASP A 149 9.695 -4.213 -6.917 1.00 0.00 O ATOM 952 OD2 ASP A 149 9.031 -2.672 -8.330 1.00 0.00 O ATOM 0 H ASP A 149 4.962 -3.902 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 149 7.225 -5.327 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.732 -2.980 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.531 -2.470 -5.896 1.00 0.00 H new ATOM 957 N LEU A 150 7.346 -3.900 -3.461 1.00 0.00 N ATOM 958 CA LEU A 150 7.919 -4.076 -2.070 1.00 0.00 C ATOM 959 C LEU A 150 7.879 -5.577 -1.586 1.00 0.00 C ATOM 960 O LEU A 150 8.863 -6.085 -1.044 1.00 0.00 O ATOM 961 CB LEU A 150 7.254 -3.010 -1.132 1.00 0.00 C ATOM 962 CG LEU A 150 7.199 -3.251 0.411 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.733 -2.066 1.240 1.00 0.00 C ATOM 964 CD2 LEU A 150 5.760 -3.563 0.867 1.00 0.00 C ATOM 0 H LEU A 150 6.686 -3.125 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 150 8.990 -3.875 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.775 -2.066 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.229 -2.871 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 150 7.853 -4.104 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.664 -2.304 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 150 8.774 -1.878 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 150 7.139 -1.177 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 150 5.747 -3.727 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.110 -2.724 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 150 5.404 -4.459 0.359 1.00 0.00 H new ATOM 976 N ILE A 151 6.746 -6.260 -1.835 1.00 0.00 N ATOM 977 CA ILE A 151 6.524 -7.747 -1.678 1.00 0.00 C ATOM 978 C ILE A 151 7.275 -8.535 -2.868 1.00 0.00 C ATOM 979 O ILE A 151 6.893 -9.639 -3.261 1.00 0.00 O ATOM 980 CB ILE A 151 5.044 -8.196 -1.493 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.170 -7.215 -0.661 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.943 -9.605 -0.840 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.698 -7.342 -0.992 1.00 0.00 C ATOM 0 H ILE A 151 5.907 -5.785 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 151 6.970 -8.021 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 151 4.651 -8.213 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.320 -7.408 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.496 -6.192 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.894 -9.880 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 151 5.445 -10.336 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.419 -9.587 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 151 2.127 -6.638 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.542 -7.122 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.364 -8.357 -0.780 1.00 0.00 H new ATOM 995 N LYS A 152 8.397 -7.984 -3.380 1.00 0.00 N ATOM 996 CA LYS A 152 9.220 -8.277 -4.630 1.00 0.00 C ATOM 997 C LYS A 152 8.588 -8.864 -5.911 1.00 0.00 C ATOM 998 O LYS A 152 9.203 -9.552 -6.735 1.00 0.00 O ATOM 999 CB LYS A 152 10.463 -9.064 -4.118 1.00 0.00 C ATOM 1000 CG LYS A 152 11.543 -8.235 -3.356 1.00 0.00 C ATOM 1001 CD LYS A 152 12.083 -6.970 -4.093 1.00 0.00 C ATOM 1002 CE LYS A 152 11.407 -5.639 -3.670 1.00 0.00 C ATOM 1003 NZ LYS A 152 11.354 -4.622 -4.768 1.00 0.00 N ATOM 0 H LYS A 152 8.828 -7.211 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 152 9.432 -7.306 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 152 10.116 -9.860 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 152 10.940 -9.543 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 152 11.124 -7.922 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 152 12.386 -8.890 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 152 13.155 -6.891 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 152 11.949 -7.106 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 152 10.393 -5.848 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 152 11.948 -5.219 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 11.233 -3.674 -4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 12.239 -4.653 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 10.553 -4.832 -5.397 1.00 0.00 H new