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= -0.149 K(o=-0.15,f=-1.6) USER MOD Single : A 111 LYS NZ :NH3+ -146:sc= 1.12 (180deg=1.03) USER MOD Single : A 114 MET CE :methyl -111:sc= -0.345 (180deg=-2.91!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 131 MET CE :methyl -157:sc= -0.142 (180deg=-1.12) USER MOD Single : A 132 LYS NZ :NH3+ 168:sc= 1.63 (180deg=1.38) USER MOD Single : A 139 ASN : amide:sc= -2.56! C(o=-2.6!,f=-7!) USER MOD Single : A 148 MET CE :methyl -139:sc= -1.23 (180deg=-4.27!) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.558 -11.243 1.107 1.00 0.00 N ATOM 32 CA GLU A 89 -3.704 -10.092 2.029 1.00 0.00 C ATOM 33 C GLU A 89 -3.329 -8.742 1.296 1.00 0.00 C ATOM 34 O GLU A 89 -3.900 -7.718 1.665 1.00 0.00 O ATOM 35 CB GLU A 89 -2.890 -10.320 3.336 1.00 0.00 C ATOM 36 CG GLU A 89 -3.174 -11.604 4.176 1.00 0.00 C ATOM 37 CD GLU A 89 -4.605 -11.886 4.612 1.00 0.00 C ATOM 38 OE1 GLU A 89 -5.368 -10.947 4.921 1.00 0.00 O ATOM 39 OE2 GLU A 89 -5.022 -13.061 4.562 1.00 0.00 O ATOM 0 HA GLU A 89 -4.749 -10.008 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.833 -10.324 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.053 -9.458 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.829 -12.461 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.558 -11.556 5.074 1.00 0.00 H new ATOM 46 N ILE A 90 -2.419 -8.727 0.273 1.00 0.00 N ATOM 47 CA ILE A 90 -2.100 -7.529 -0.546 1.00 0.00 C ATOM 48 C ILE A 90 -3.336 -7.252 -1.450 1.00 0.00 C ATOM 49 O ILE A 90 -3.856 -6.150 -1.316 1.00 0.00 O ATOM 50 CB ILE A 90 -0.852 -7.586 -1.510 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.572 -7.717 -0.936 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.802 -6.361 -2.457 1.00 0.00 C ATOM 53 CD1 ILE A 90 1.607 -8.353 -1.868 1.00 0.00 C ATOM 0 H ILE A 90 -1.888 -9.553 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.849 -6.765 0.190 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.065 -8.541 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.924 -6.724 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.522 -8.307 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.071 -6.437 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.705 -6.336 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.737 -5.447 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.573 -8.396 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.289 -9.362 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.697 -7.754 -2.774 1.00 0.00 H new ATOM 65 N LEU A 91 -3.763 -8.136 -2.399 1.00 0.00 N ATOM 66 CA LEU A 91 -4.938 -7.816 -3.278 1.00 0.00 C ATOM 67 C LEU A 91 -6.175 -7.332 -2.449 1.00 0.00 C ATOM 68 O LEU A 91 -6.659 -6.225 -2.704 1.00 0.00 O ATOM 69 CB LEU A 91 -5.200 -8.958 -4.302 1.00 0.00 C ATOM 70 CG LEU A 91 -5.796 -10.321 -3.840 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.336 -10.358 -3.920 1.00 0.00 C ATOM 72 CD2 LEU A 91 -5.214 -11.499 -4.647 1.00 0.00 C ATOM 0 H LEU A 91 -3.333 -9.044 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.699 -6.951 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.869 -8.558 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.250 -9.173 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.510 -10.426 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.694 -11.332 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.752 -9.579 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.651 -10.189 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.653 -12.433 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.444 -11.365 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.133 -11.534 -4.512 1.00 0.00 H new ATOM 84 N ARG A 92 -6.549 -8.045 -1.361 1.00 0.00 N ATOM 85 CA ARG A 92 -7.660 -7.625 -0.471 1.00 0.00 C ATOM 86 C ARG A 92 -7.369 -6.250 0.232 1.00 0.00 C ATOM 87 O ARG A 92 -8.150 -5.309 0.037 1.00 0.00 O ATOM 88 CB ARG A 92 -7.999 -8.781 0.517 1.00 0.00 C ATOM 89 CG ARG A 92 -8.666 -10.021 -0.140 1.00 0.00 C ATOM 90 CD ARG A 92 -9.209 -11.088 0.836 1.00 0.00 C ATOM 91 NE ARG A 92 -8.203 -12.119 1.223 1.00 0.00 N ATOM 92 CZ ARG A 92 -7.420 -12.093 2.292 1.00 0.00 C ATOM 93 NH1 ARG A 92 -7.337 -11.082 3.116 1.00 0.00 N ATOM 94 NH2 ARG A 92 -6.699 -13.146 2.512 1.00 0.00 N ATOM 0 H ARG A 92 -6.098 -8.915 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.551 -7.438 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.081 -9.099 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.662 -8.396 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.488 -9.678 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.938 -10.495 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.572 -10.592 1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.065 -11.583 0.378 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.108 -12.924 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.897 -10.245 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.712 -11.130 3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.752 -13.942 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.078 -13.179 3.321 1.00 0.00 H new ATOM 108 N ALA A 93 -6.229 -6.106 0.957 1.00 0.00 N ATOM 109 CA ALA A 93 -5.872 -4.842 1.644 1.00 0.00 C ATOM 110 C ALA A 93 -5.594 -3.671 0.681 1.00 0.00 C ATOM 111 O ALA A 93 -6.349 -2.716 0.809 1.00 0.00 O ATOM 112 CB ALA A 93 -4.723 -5.018 2.652 1.00 0.00 C ATOM 0 H ALA A 93 -5.543 -6.851 1.079 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.765 -4.572 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.504 -4.061 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.015 -5.741 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.835 -5.377 2.132 1.00 0.00 H new ATOM 118 N PHE A 94 -4.616 -3.714 -0.262 1.00 0.00 N ATOM 119 CA PHE A 94 -4.360 -2.599 -1.234 1.00 0.00 C ATOM 120 C PHE A 94 -5.624 -2.215 -2.038 1.00 0.00 C ATOM 121 O PHE A 94 -5.894 -1.018 -2.136 1.00 0.00 O ATOM 122 CB PHE A 94 -3.210 -2.848 -2.266 1.00 0.00 C ATOM 123 CG PHE A 94 -2.703 -1.590 -3.054 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.503 -1.059 -4.075 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.534 -0.899 -2.707 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.216 0.179 -4.637 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.169 0.273 -3.375 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.039 0.831 -4.312 1.00 0.00 C ATOM 0 H PHE A 94 -3.986 -4.508 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.046 -1.789 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.363 -3.285 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.552 -3.590 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.355 -1.620 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.907 -1.277 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.911 0.633 -5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.219 0.744 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.794 1.771 -4.784 1.00 0.00 H new ATOM 138 N LYS A 95 -6.364 -3.181 -2.629 1.00 0.00 N ATOM 139 CA LYS A 95 -7.592 -2.833 -3.404 1.00 0.00 C ATOM 140 C LYS A 95 -8.705 -2.209 -2.470 1.00 0.00 C ATOM 141 O LYS A 95 -9.457 -1.362 -2.956 1.00 0.00 O ATOM 142 CB LYS A 95 -7.981 -4.030 -4.311 1.00 0.00 C ATOM 143 CG LYS A 95 -6.848 -4.546 -5.270 1.00 0.00 C ATOM 144 CD LYS A 95 -7.323 -5.745 -6.117 1.00 0.00 C ATOM 145 CE LYS A 95 -6.216 -6.291 -7.037 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.721 -7.483 -7.771 1.00 0.00 N ATOM 0 H LYS A 95 -6.148 -4.177 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.415 -2.018 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.300 -4.856 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.841 -3.742 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.532 -3.737 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.978 -4.837 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.666 -6.540 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.178 -5.443 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.904 -5.522 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.339 -6.558 -6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.972 -7.851 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.998 -8.218 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.546 -7.214 -8.345 1.00 0.00 H new ATOM 160 N VAL A 96 -8.821 -2.570 -1.155 1.00 0.00 N ATOM 161 CA VAL A 96 -9.708 -1.822 -0.190 1.00 0.00 C ATOM 162 C VAL A 96 -9.132 -0.379 -0.001 1.00 0.00 C ATOM 163 O VAL A 96 -9.870 0.609 -0.063 1.00 0.00 O ATOM 164 CB VAL A 96 -9.823 -2.500 1.231 1.00 0.00 C ATOM 165 CG1 VAL A 96 -10.298 -1.629 2.433 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.788 -3.650 1.122 1.00 0.00 C ATOM 0 H VAL A 96 -8.324 -3.358 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.709 -1.818 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.793 -2.765 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.324 -2.239 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.607 -0.798 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.295 -1.240 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.885 -4.136 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.762 -3.279 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.416 -4.369 0.392 1.00 0.00 H new ATOM 176 N PHE A 97 -7.815 -0.314 0.263 1.00 0.00 N ATOM 177 CA PHE A 97 -7.050 0.903 0.490 1.00 0.00 C ATOM 178 C PHE A 97 -7.109 2.011 -0.618 1.00 0.00 C ATOM 179 O PHE A 97 -7.006 3.197 -0.297 1.00 0.00 O ATOM 180 CB PHE A 97 -5.573 0.422 0.700 1.00 0.00 C ATOM 181 CG PHE A 97 -4.847 1.037 1.877 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.449 2.354 1.739 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.547 0.337 3.056 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.796 2.991 2.767 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.929 1.005 4.118 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.570 2.347 3.976 1.00 0.00 C ATOM 0 H PHE A 97 -7.238 -1.153 0.325 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.494 1.415 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.576 -0.661 0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.007 0.638 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.652 2.884 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.792 -0.711 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.454 4.007 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.730 0.485 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.120 2.880 4.800 1.00 0.00 H new ATOM 196 N ASP A 98 -7.275 1.602 -1.897 1.00 0.00 N ATOM 197 CA ASP A 98 -7.304 2.467 -3.098 1.00 0.00 C ATOM 198 C ASP A 98 -8.279 3.707 -3.151 1.00 0.00 C ATOM 199 O ASP A 98 -8.042 4.561 -4.006 1.00 0.00 O ATOM 200 CB ASP A 98 -7.341 1.417 -4.270 1.00 0.00 C ATOM 201 CG ASP A 98 -8.561 1.214 -5.156 1.00 0.00 C ATOM 202 OD1 ASP A 98 -9.282 2.214 -5.431 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.809 0.087 -5.571 1.00 0.00 O ATOM 0 H ASP A 98 -7.398 0.617 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.432 3.120 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.513 1.664 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.115 0.448 -3.826 1.00 0.00 H new ATOM 208 N ALA A 99 -9.304 3.874 -2.270 1.00 0.00 N ATOM 209 CA ALA A 99 -10.217 5.066 -2.219 1.00 0.00 C ATOM 210 C ALA A 99 -11.302 5.151 -3.328 1.00 0.00 C ATOM 211 O ALA A 99 -12.496 4.987 -3.066 1.00 0.00 O ATOM 212 CB ALA A 99 -9.417 6.405 -2.136 1.00 0.00 C ATOM 0 H ALA A 99 -9.528 3.176 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.777 4.909 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.113 7.243 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.802 6.406 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.777 6.501 -3.013 1.00 0.00 H new ATOM 218 N ASN A 100 -10.838 5.422 -4.554 1.00 0.00 N ATOM 219 CA ASN A 100 -11.699 5.605 -5.753 1.00 0.00 C ATOM 220 C ASN A 100 -12.303 4.315 -6.415 1.00 0.00 C ATOM 221 O ASN A 100 -13.295 4.442 -7.142 1.00 0.00 O ATOM 222 CB ASN A 100 -10.948 6.470 -6.833 1.00 0.00 C ATOM 223 CG ASN A 100 -11.624 6.633 -8.222 1.00 0.00 C ATOM 224 OD1 ASN A 100 -11.411 5.756 -9.063 1.00 0.00 O ATOM 225 ND2 ASN A 100 -12.471 7.622 -8.504 1.00 0.00 N ATOM 0 H ASN A 100 -9.843 5.524 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.575 6.120 -5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.792 7.465 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.962 6.031 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.938 7.650 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -12.652 8.351 -7.814 1.00 0.00 H new ATOM 232 N GLY A 101 -11.790 3.103 -6.162 1.00 0.00 N ATOM 233 CA GLY A 101 -12.218 1.886 -6.886 1.00 0.00 C ATOM 234 C GLY A 101 -11.508 1.673 -8.268 1.00 0.00 C ATOM 235 O GLY A 101 -11.839 0.687 -8.931 1.00 0.00 O ATOM 0 H GLY A 101 -11.073 2.933 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.028 1.017 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.295 1.934 -7.048 1.00 0.00 H new ATOM 239 N ASP A 102 -10.523 2.519 -8.687 1.00 0.00 N ATOM 240 CA ASP A 102 -9.713 2.326 -9.922 1.00 0.00 C ATOM 241 C ASP A 102 -8.300 1.674 -9.657 1.00 0.00 C ATOM 242 O ASP A 102 -7.691 1.167 -10.609 1.00 0.00 O ATOM 243 CB ASP A 102 -9.582 3.659 -10.718 1.00 0.00 C ATOM 244 CG ASP A 102 -8.747 4.822 -10.152 1.00 0.00 C ATOM 245 OD1 ASP A 102 -8.192 4.727 -9.035 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.654 5.854 -10.850 1.00 0.00 O ATOM 0 H ASP A 102 -10.269 3.361 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.260 1.607 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.170 3.412 -11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.591 4.037 -10.884 1.00 0.00 H new ATOM 251 N GLY A 103 -7.803 1.674 -8.399 1.00 0.00 N ATOM 252 CA GLY A 103 -6.494 1.134 -8.015 1.00 0.00 C ATOM 253 C GLY A 103 -5.430 2.161 -7.564 1.00 0.00 C ATOM 254 O GLY A 103 -4.260 1.786 -7.654 1.00 0.00 O ATOM 0 H GLY A 103 -8.320 2.061 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.644 0.420 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.093 0.577 -8.862 1.00 0.00 H new ATOM 258 N VAL A 104 -5.756 3.400 -7.086 1.00 0.00 N ATOM 259 CA VAL A 104 -4.703 4.392 -6.692 1.00 0.00 C ATOM 260 C VAL A 104 -5.010 5.081 -5.317 1.00 0.00 C ATOM 261 O VAL A 104 -6.000 5.793 -5.142 1.00 0.00 O ATOM 262 CB VAL A 104 -4.413 5.477 -7.782 1.00 0.00 C ATOM 263 CG1 VAL A 104 -3.048 6.187 -7.638 1.00 0.00 C ATOM 264 CG2 VAL A 104 -4.400 4.929 -9.216 1.00 0.00 C ATOM 0 H VAL A 104 -6.713 3.731 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.798 3.794 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.239 6.168 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.934 6.921 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.000 6.690 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.246 5.451 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.193 5.740 -9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.627 4.166 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.371 4.491 -9.447 1.00 0.00 H new ATOM 274 N ILE A 105 -4.049 4.914 -4.404 1.00 0.00 N ATOM 275 CA ILE A 105 -4.055 5.437 -3.000 1.00 0.00 C ATOM 276 C ILE A 105 -3.344 6.817 -2.867 1.00 0.00 C ATOM 277 O ILE A 105 -2.195 6.973 -3.288 1.00 0.00 O ATOM 278 CB ILE A 105 -3.253 4.489 -2.019 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.725 3.018 -2.004 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.282 5.000 -0.539 1.00 0.00 C ATOM 281 CD1 ILE A 105 -2.748 2.081 -1.289 1.00 0.00 C ATOM 0 H ILE A 105 -3.200 4.390 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.113 5.505 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.242 4.522 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.698 2.960 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.862 2.676 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.718 4.315 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.835 5.993 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.314 5.049 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.137 1.063 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.781 2.112 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.630 2.400 -0.253 1.00 0.00 H new ATOM 293 N ASP A 106 -3.987 7.735 -2.124 1.00 0.00 N ATOM 294 CA ASP A 106 -3.434 9.074 -1.787 1.00 0.00 C ATOM 295 C ASP A 106 -2.948 9.148 -0.292 1.00 0.00 C ATOM 296 O ASP A 106 -3.145 8.223 0.504 1.00 0.00 O ATOM 297 CB ASP A 106 -4.466 10.178 -2.158 1.00 0.00 C ATOM 298 CG ASP A 106 -5.711 10.288 -1.264 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.612 10.880 -0.167 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.779 9.775 -1.653 1.00 0.00 O ATOM 0 H ASP A 106 -4.915 7.574 -1.733 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.540 9.251 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.954 11.140 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.797 10.004 -3.182 1.00 0.00 H new ATOM 305 N PHE A 107 -2.309 10.272 0.093 1.00 0.00 N ATOM 306 CA PHE A 107 -1.785 10.461 1.479 1.00 0.00 C ATOM 307 C PHE A 107 -2.876 10.651 2.576 1.00 0.00 C ATOM 308 O PHE A 107 -2.817 9.965 3.605 1.00 0.00 O ATOM 309 CB PHE A 107 -0.711 11.589 1.514 1.00 0.00 C ATOM 310 CG PHE A 107 0.269 11.466 2.697 1.00 0.00 C ATOM 311 CD1 PHE A 107 -0.027 12.077 3.922 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.421 10.680 2.585 1.00 0.00 C ATOM 313 CE1 PHE A 107 0.807 11.886 5.022 1.00 0.00 C ATOM 314 CE2 PHE A 107 2.253 10.489 3.686 1.00 0.00 C ATOM 315 CZ PHE A 107 1.942 11.090 4.903 1.00 0.00 C ATOM 0 H PHE A 107 -2.140 11.064 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.310 9.516 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.147 11.572 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.212 12.556 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.905 12.699 4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.667 10.219 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.573 12.355 5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.138 9.876 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.584 10.938 5.758 1.00 0.00 H new ATOM 325 N ASP A 108 -3.843 11.568 2.365 1.00 0.00 N ATOM 326 CA ASP A 108 -4.955 11.796 3.343 1.00 0.00 C ATOM 327 C ASP A 108 -5.861 10.528 3.522 1.00 0.00 C ATOM 328 O ASP A 108 -6.128 10.154 4.675 1.00 0.00 O ATOM 329 CB ASP A 108 -5.770 13.088 3.041 1.00 0.00 C ATOM 330 CG ASP A 108 -5.030 14.385 3.382 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.724 14.583 4.582 1.00 0.00 O ATOM 332 OD2 ASP A 108 -4.781 15.212 2.484 1.00 0.00 O ATOM 0 H ASP A 108 -3.887 12.163 1.538 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.482 11.969 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.034 13.100 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.704 13.056 3.603 1.00 0.00 H new ATOM 337 N GLU A 109 -6.293 9.834 2.442 1.00 0.00 N ATOM 338 CA GLU A 109 -7.068 8.568 2.585 1.00 0.00 C ATOM 339 C GLU A 109 -6.249 7.457 3.332 1.00 0.00 C ATOM 340 O GLU A 109 -6.828 6.760 4.156 1.00 0.00 O ATOM 341 CB GLU A 109 -7.629 8.096 1.224 1.00 0.00 C ATOM 342 CG GLU A 109 -8.602 6.889 1.323 1.00 0.00 C ATOM 343 CD GLU A 109 -9.839 7.023 2.222 1.00 0.00 C ATOM 344 OE1 GLU A 109 -10.367 8.143 2.393 1.00 0.00 O ATOM 345 OE2 GLU A 109 -10.313 5.988 2.729 1.00 0.00 O ATOM 0 H GLU A 109 -6.125 10.119 1.477 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.929 8.776 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.147 8.929 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.797 7.826 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.947 6.657 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.030 6.029 1.671 1.00 0.00 H new ATOM 352 N PHE A 110 -4.928 7.305 3.084 1.00 0.00 N ATOM 353 CA PHE A 110 -4.037 6.351 3.818 1.00 0.00 C ATOM 354 C PHE A 110 -4.047 6.675 5.338 1.00 0.00 C ATOM 355 O PHE A 110 -4.368 5.790 6.135 1.00 0.00 O ATOM 356 CB PHE A 110 -2.604 6.421 3.181 1.00 0.00 C ATOM 357 CG PHE A 110 -1.487 5.396 3.511 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.031 5.153 4.813 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.859 4.740 2.444 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.045 4.287 5.035 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.190 3.857 2.666 1.00 0.00 C ATOM 362 CZ PHE A 110 0.663 3.652 3.955 1.00 0.00 C ATOM 0 H PHE A 110 -4.439 7.840 2.366 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.396 5.326 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.743 6.392 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.204 7.405 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.513 5.637 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.195 4.924 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.398 4.110 6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.637 3.330 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.509 3.002 4.123 1.00 0.00 H new ATOM 372 N LYS A 111 -3.757 7.943 5.707 1.00 0.00 N ATOM 373 CA LYS A 111 -3.840 8.434 7.113 1.00 0.00 C ATOM 374 C LYS A 111 -5.209 8.114 7.820 1.00 0.00 C ATOM 375 O LYS A 111 -5.204 7.714 8.989 1.00 0.00 O ATOM 376 CB LYS A 111 -3.488 9.950 6.984 1.00 0.00 C ATOM 377 CG LYS A 111 -3.741 10.892 8.192 1.00 0.00 C ATOM 378 CD LYS A 111 -4.152 12.322 7.763 1.00 0.00 C ATOM 379 CE LYS A 111 -5.601 12.417 7.225 1.00 0.00 C ATOM 380 NZ LYS A 111 -5.862 13.803 6.761 1.00 0.00 N ATOM 0 H LYS A 111 -3.459 8.659 5.044 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.152 7.922 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.431 10.021 6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.048 10.346 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.524 10.467 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.838 10.946 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.046 12.993 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.464 12.673 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.743 11.714 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.310 12.143 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.856 14.049 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.243 14.463 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.671 13.869 5.741 1.00 0.00 H new ATOM 394 N PHE A 112 -6.343 8.293 7.114 1.00 0.00 N ATOM 395 CA PHE A 112 -7.697 7.966 7.633 1.00 0.00 C ATOM 396 C PHE A 112 -7.997 6.420 7.708 1.00 0.00 C ATOM 397 O PHE A 112 -8.384 5.911 8.763 1.00 0.00 O ATOM 398 CB PHE A 112 -8.699 8.737 6.713 1.00 0.00 C ATOM 399 CG PHE A 112 -10.185 8.368 6.861 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.908 8.799 7.974 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.797 7.520 5.930 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.244 8.434 8.128 1.00 0.00 C ATOM 403 CE2 PHE A 112 -12.134 7.159 6.080 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.858 7.624 7.175 1.00 0.00 C ATOM 0 H PHE A 112 -6.352 8.669 6.166 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.790 8.279 8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.591 9.804 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.407 8.572 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.430 9.418 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -10.230 7.144 5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.803 8.779 8.985 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.608 6.520 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.898 7.356 7.286 1.00 0.00 H new ATOM 414 N ILE A 113 -7.848 5.719 6.571 1.00 0.00 N ATOM 415 CA ILE A 113 -8.141 4.272 6.389 1.00 0.00 C ATOM 416 C ILE A 113 -7.255 3.243 7.108 1.00 0.00 C ATOM 417 O ILE A 113 -7.814 2.220 7.493 1.00 0.00 O ATOM 418 CB ILE A 113 -8.225 3.982 4.837 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.431 3.064 4.516 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.935 3.500 4.161 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.706 2.740 3.037 1.00 0.00 C ATOM 0 H ILE A 113 -7.507 6.155 5.714 1.00 0.00 H new ATOM 0 HA ILE A 113 -9.089 4.115 6.904 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.382 4.961 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -9.286 2.122 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.326 3.528 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.120 3.336 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.157 4.254 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.610 2.567 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.577 2.089 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.896 3.664 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.840 2.236 2.608 1.00 0.00 H new ATOM 433 N MET A 114 -5.946 3.528 7.255 1.00 0.00 N ATOM 434 CA MET A 114 -4.907 2.665 7.915 1.00 0.00 C ATOM 435 C MET A 114 -5.377 1.676 9.027 1.00 0.00 C ATOM 436 O MET A 114 -4.935 0.529 9.089 1.00 0.00 O ATOM 437 CB MET A 114 -3.844 3.695 8.416 1.00 0.00 C ATOM 438 CG MET A 114 -2.861 3.222 9.486 1.00 0.00 C ATOM 439 SD MET A 114 -1.614 4.480 9.776 1.00 0.00 S ATOM 440 CE MET A 114 -2.578 5.783 10.584 1.00 0.00 C ATOM 0 H MET A 114 -5.551 4.402 6.906 1.00 0.00 H new ATOM 0 HA MET A 114 -4.529 1.939 7.195 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.268 4.032 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 114 -4.374 4.565 8.805 1.00 0.00 H new ATOM 0 HG2 MET A 114 -3.395 3.007 10.412 1.00 0.00 H new ATOM 0 HG3 MET A 114 -2.386 2.294 9.169 1.00 0.00 H new ATOM 0 HE1 MET A 114 -2.662 6.641 9.917 1.00 0.00 H new ATOM 0 HE2 MET A 114 -3.574 5.407 10.818 1.00 0.00 H new ATOM 0 HE3 MET A 114 -2.079 6.087 11.505 1.00 0.00 H new ATOM 575 N THR A 123 1.143 4.905 14.543 1.00 0.00 N ATOM 576 CA THR A 123 1.759 6.211 14.944 1.00 0.00 C ATOM 577 C THR A 123 2.075 7.099 13.707 1.00 0.00 C ATOM 578 O THR A 123 2.362 6.563 12.636 1.00 0.00 O ATOM 579 CB THR A 123 3.076 6.045 15.762 1.00 0.00 C ATOM 580 OG1 THR A 123 4.059 5.338 15.024 1.00 0.00 O ATOM 581 CG2 THR A 123 2.912 5.341 17.117 1.00 0.00 C ATOM 0 HA THR A 123 1.011 6.689 15.576 1.00 0.00 H new ATOM 0 HB THR A 123 3.387 7.071 15.958 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.873 5.251 15.563 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.881 5.272 17.611 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.225 5.911 17.743 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.513 4.339 16.960 1.00 0.00 H new ATOM 589 N ASP A 124 2.042 8.434 13.884 1.00 0.00 N ATOM 590 CA ASP A 124 2.368 9.455 12.826 1.00 0.00 C ATOM 591 C ASP A 124 3.614 9.148 11.916 1.00 0.00 C ATOM 592 O ASP A 124 3.565 9.145 10.666 1.00 0.00 O ATOM 593 CB ASP A 124 2.420 10.830 13.558 1.00 0.00 C ATOM 594 CG ASP A 124 3.451 11.025 14.680 1.00 0.00 C ATOM 595 OD1 ASP A 124 3.212 10.536 15.805 1.00 0.00 O ATOM 596 OD2 ASP A 124 4.504 11.646 14.425 1.00 0.00 O ATOM 0 H ASP A 124 1.786 8.858 14.776 1.00 0.00 H new ATOM 0 HA ASP A 124 1.588 9.443 12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.599 11.599 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.432 11.019 13.979 1.00 0.00 H new ATOM 601 N ALA A 125 4.698 8.806 12.634 1.00 0.00 N ATOM 602 CA ALA A 125 5.986 8.397 12.041 1.00 0.00 C ATOM 603 C ALA A 125 5.845 7.081 11.232 1.00 0.00 C ATOM 604 O ALA A 125 6.298 7.073 10.088 1.00 0.00 O ATOM 605 CB ALA A 125 7.035 8.330 13.152 1.00 0.00 C ATOM 0 H ALA A 125 4.706 8.805 13.654 1.00 0.00 H new ATOM 0 HA ALA A 125 6.320 9.136 11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.994 8.029 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.136 9.311 13.617 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.724 7.603 13.902 1.00 0.00 H new ATOM 611 N GLU A 126 5.211 6.004 11.772 1.00 0.00 N ATOM 612 CA GLU A 126 4.947 4.769 10.980 1.00 0.00 C ATOM 613 C GLU A 126 4.017 5.031 9.735 1.00 0.00 C ATOM 614 O GLU A 126 4.168 4.304 8.752 1.00 0.00 O ATOM 615 CB GLU A 126 4.363 3.626 11.857 1.00 0.00 C ATOM 616 CG GLU A 126 5.265 3.078 12.994 1.00 0.00 C ATOM 617 CD GLU A 126 5.197 1.570 13.209 1.00 0.00 C ATOM 618 OE1 GLU A 126 5.786 0.820 12.404 1.00 0.00 O ATOM 619 OE2 GLU A 126 4.561 1.135 14.191 1.00 0.00 O ATOM 0 H GLU A 126 4.878 5.965 12.735 1.00 0.00 H new ATOM 0 HA GLU A 126 5.919 4.449 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.435 3.982 12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.103 2.795 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.298 3.352 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.990 3.574 13.925 1.00 0.00 H new ATOM 626 N VAL A 127 3.087 6.028 9.741 1.00 0.00 N ATOM 627 CA VAL A 127 2.213 6.354 8.584 1.00 0.00 C ATOM 628 C VAL A 127 3.082 6.997 7.453 1.00 0.00 C ATOM 629 O VAL A 127 3.111 6.419 6.353 1.00 0.00 O ATOM 630 CB VAL A 127 0.967 7.258 8.942 1.00 0.00 C ATOM 631 CG1 VAL A 127 -0.239 7.039 8.002 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.392 7.238 10.376 1.00 0.00 C ATOM 0 H VAL A 127 2.925 6.627 10.551 1.00 0.00 H new ATOM 0 HA VAL A 127 1.777 5.417 8.238 1.00 0.00 H new ATOM 0 HB VAL A 127 1.453 8.226 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -1.059 7.691 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.051 7.272 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.561 5.999 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.458 7.918 10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.067 6.228 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.161 7.555 11.081 1.00 0.00 H new ATOM 642 N GLU A 128 3.812 8.134 7.703 1.00 0.00 N ATOM 643 CA GLU A 128 4.678 8.717 6.615 1.00 0.00 C ATOM 644 C GLU A 128 5.856 7.766 6.181 1.00 0.00 C ATOM 645 O GLU A 128 6.136 7.663 4.981 1.00 0.00 O ATOM 646 CB GLU A 128 5.160 10.155 6.957 1.00 0.00 C ATOM 647 CG GLU A 128 5.749 10.895 5.716 1.00 0.00 C ATOM 648 CD GLU A 128 6.010 12.387 5.854 1.00 0.00 C ATOM 649 OE1 GLU A 128 5.096 13.186 5.564 1.00 0.00 O ATOM 650 OE2 GLU A 128 7.145 12.762 6.213 1.00 0.00 O ATOM 0 H GLU A 128 3.823 8.639 8.589 1.00 0.00 H new ATOM 0 HA GLU A 128 4.040 8.804 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.325 10.730 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.917 10.105 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.689 10.411 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.066 10.748 4.880 1.00 0.00 H new ATOM 657 N GLU A 129 6.512 7.050 7.120 1.00 0.00 N ATOM 658 CA GLU A 129 7.583 6.067 6.805 1.00 0.00 C ATOM 659 C GLU A 129 7.038 4.846 5.988 1.00 0.00 C ATOM 660 O GLU A 129 7.678 4.485 4.992 1.00 0.00 O ATOM 661 CB GLU A 129 8.328 5.695 8.119 1.00 0.00 C ATOM 662 CG GLU A 129 9.635 4.878 7.926 1.00 0.00 C ATOM 663 CD GLU A 129 10.498 4.741 9.174 1.00 0.00 C ATOM 664 OE1 GLU A 129 11.307 5.655 9.445 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.388 3.715 9.874 1.00 0.00 O ATOM 0 H GLU A 129 6.318 7.134 8.118 1.00 0.00 H new ATOM 0 HA GLU A 129 8.319 6.514 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.568 6.613 8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.651 5.123 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.374 3.881 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.228 5.349 7.142 1.00 0.00 H new ATOM 672 N ALA A 130 5.870 4.248 6.354 1.00 0.00 N ATOM 673 CA ALA A 130 5.273 3.133 5.571 1.00 0.00 C ATOM 674 C ALA A 130 4.849 3.578 4.143 1.00 0.00 C ATOM 675 O ALA A 130 5.180 2.858 3.190 1.00 0.00 O ATOM 676 CB ALA A 130 4.102 2.473 6.320 1.00 0.00 C ATOM 0 H ALA A 130 5.330 4.517 7.177 1.00 0.00 H new ATOM 0 HA ALA A 130 6.055 2.383 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.693 1.664 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.457 2.073 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.325 3.215 6.506 1.00 0.00 H new ATOM 682 N MET A 131 4.168 4.750 3.973 1.00 0.00 N ATOM 683 CA MET A 131 3.813 5.221 2.608 1.00 0.00 C ATOM 684 C MET A 131 5.072 5.676 1.832 1.00 0.00 C ATOM 685 O MET A 131 5.094 5.325 0.661 1.00 0.00 O ATOM 686 CB MET A 131 2.717 6.314 2.585 1.00 0.00 C ATOM 687 CG MET A 131 2.099 6.474 1.187 1.00 0.00 C ATOM 688 SD MET A 131 0.745 7.650 1.152 1.00 0.00 S ATOM 689 CE MET A 131 0.194 7.306 -0.528 1.00 0.00 C ATOM 0 H MET A 131 3.866 5.361 4.732 1.00 0.00 H new ATOM 0 HA MET A 131 3.379 4.359 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.935 6.060 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.145 7.264 2.904 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.871 6.796 0.489 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.741 5.505 0.841 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.352 8.166 -0.915 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.059 7.110 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 131 -0.459 6.433 -0.525 1.00 0.00 H new ATOM 699 N LYS A 132 6.091 6.407 2.356 1.00 0.00 N ATOM 700 CA LYS A 132 7.308 6.704 1.537 1.00 0.00 C ATOM 701 C LYS A 132 8.095 5.385 1.182 1.00 0.00 C ATOM 702 O LYS A 132 8.625 5.313 0.073 1.00 0.00 O ATOM 703 CB LYS A 132 8.131 7.865 2.153 1.00 0.00 C ATOM 704 CG LYS A 132 9.262 8.511 1.289 1.00 0.00 C ATOM 705 CD LYS A 132 9.187 8.506 -0.269 1.00 0.00 C ATOM 706 CE LYS A 132 7.971 9.175 -0.951 1.00 0.00 C ATOM 707 NZ LYS A 132 7.899 8.752 -2.377 1.00 0.00 N ATOM 0 H LYS A 132 6.103 6.790 3.301 1.00 0.00 H new ATOM 0 HA LYS A 132 7.014 7.092 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.434 8.655 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.584 7.499 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.346 9.552 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.195 8.019 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.087 8.992 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 132 9.223 7.468 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 132 7.053 8.898 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.058 10.260 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 6.981 9.033 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.664 9.208 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.001 7.719 -2.438 1.00 0.00 H new ATOM 721 N GLU A 133 8.142 4.323 2.030 1.00 0.00 N ATOM 722 CA GLU A 133 8.729 3.010 1.622 1.00 0.00 C ATOM 723 C GLU A 133 7.904 2.386 0.421 1.00 0.00 C ATOM 724 O GLU A 133 8.512 1.908 -0.541 1.00 0.00 O ATOM 725 CB GLU A 133 8.763 2.062 2.849 1.00 0.00 C ATOM 726 CG GLU A 133 9.533 0.734 2.634 1.00 0.00 C ATOM 727 CD GLU A 133 9.344 -0.276 3.753 1.00 0.00 C ATOM 728 OE1 GLU A 133 8.352 -1.035 3.712 1.00 0.00 O ATOM 729 OE2 GLU A 133 10.196 -0.328 4.665 1.00 0.00 O ATOM 0 H GLU A 133 7.788 4.345 2.986 1.00 0.00 H new ATOM 0 HA GLU A 133 9.751 3.155 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.214 2.594 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.738 1.827 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.209 0.286 1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.596 0.954 2.532 1.00 0.00 H new ATOM 736 N ALA A 134 6.545 2.424 0.486 1.00 0.00 N ATOM 737 CA ALA A 134 5.651 1.911 -0.586 1.00 0.00 C ATOM 738 C ALA A 134 5.485 2.801 -1.876 1.00 0.00 C ATOM 739 O ALA A 134 5.271 2.269 -2.969 1.00 0.00 O ATOM 740 CB ALA A 134 4.307 1.564 0.060 1.00 0.00 C ATOM 0 H ALA A 134 6.040 2.811 1.283 1.00 0.00 H new ATOM 0 HA ALA A 134 6.143 1.032 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.625 1.184 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.457 0.803 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.880 2.458 0.515 1.00 0.00 H new ATOM 746 N ASP A 135 5.606 4.144 -1.774 1.00 0.00 N ATOM 747 CA ASP A 135 5.618 5.052 -2.943 1.00 0.00 C ATOM 748 C ASP A 135 7.141 5.156 -3.297 1.00 0.00 C ATOM 749 O ASP A 135 7.864 5.947 -2.666 1.00 0.00 O ATOM 750 CB ASP A 135 5.066 6.489 -2.732 1.00 0.00 C ATOM 751 CG ASP A 135 5.290 7.414 -3.981 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.427 7.038 -5.128 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.200 8.687 -3.712 1.00 0.00 O ATOM 0 H ASP A 135 5.698 4.628 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 135 4.956 4.641 -3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.000 6.435 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.549 6.935 -1.863 1.00 0.00 H new ATOM 758 N GLU A 136 7.629 4.421 -4.305 1.00 0.00 N ATOM 759 CA GLU A 136 9.070 4.544 -4.731 1.00 0.00 C ATOM 760 C GLU A 136 9.509 6.022 -5.131 1.00 0.00 C ATOM 761 O GLU A 136 10.661 6.405 -4.925 1.00 0.00 O ATOM 762 CB GLU A 136 9.380 3.484 -5.822 1.00 0.00 C ATOM 763 CG GLU A 136 9.173 2.009 -5.368 1.00 0.00 C ATOM 764 CD GLU A 136 9.979 0.967 -6.132 1.00 0.00 C ATOM 765 OE1 GLU A 136 11.136 0.706 -5.744 1.00 0.00 O ATOM 766 OE2 GLU A 136 9.451 0.399 -7.109 1.00 0.00 O ATOM 0 H GLU A 136 7.082 3.747 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 136 9.692 4.332 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.746 3.676 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.412 3.609 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.426 1.934 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.115 1.764 -5.461 1.00 0.00 H new ATOM 773 N ASP A 137 8.539 6.810 -5.640 1.00 0.00 N ATOM 774 CA ASP A 137 8.561 8.241 -6.037 1.00 0.00 C ATOM 775 C ASP A 137 7.319 8.386 -6.984 1.00 0.00 C ATOM 776 O ASP A 137 7.589 9.195 -7.878 1.00 0.00 O ATOM 777 CB ASP A 137 9.900 8.907 -6.437 1.00 0.00 C ATOM 778 CG ASP A 137 9.794 10.462 -6.556 1.00 0.00 C ATOM 779 OD1 ASP A 137 8.664 11.039 -6.530 1.00 0.00 O ATOM 780 OD2 ASP A 137 10.863 11.104 -6.647 1.00 0.00 O ATOM 0 H ASP A 137 7.612 6.416 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 137 8.475 8.888 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 137 10.660 8.655 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 137 10.234 8.497 -7.390 1.00 0.00 H new ATOM 785 N GLY A 138 6.646 7.485 -7.711 1.00 0.00 N ATOM 786 CA GLY A 138 5.257 7.782 -8.192 1.00 0.00 C ATOM 787 C GLY A 138 4.564 9.183 -8.132 1.00 0.00 C ATOM 788 O GLY A 138 3.371 9.176 -8.418 1.00 0.00 O ATOM 0 H GLY A 138 7.009 6.571 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 138 5.233 7.482 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 138 4.601 7.101 -7.650 1.00 0.00 H new ATOM 792 N ASN A 139 5.245 10.294 -7.727 1.00 0.00 N ATOM 793 CA ASN A 139 4.699 11.645 -7.475 1.00 0.00 C ATOM 794 C ASN A 139 3.981 11.733 -6.054 1.00 0.00 C ATOM 795 O ASN A 139 3.284 12.730 -5.837 1.00 0.00 O ATOM 796 CB ASN A 139 3.864 12.191 -8.681 1.00 0.00 C ATOM 797 CG ASN A 139 2.330 11.956 -8.736 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.795 11.165 -7.969 1.00 0.00 O ATOM 799 ND2 ASN A 139 1.537 12.566 -9.605 1.00 0.00 N ATOM 0 H ASN A 139 6.251 10.259 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 139 5.536 12.339 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.028 13.268 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.290 11.764 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 139 0.537 12.366 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 139 1.927 13.235 -10.269 1.00 0.00 H new ATOM 806 N GLY A 140 4.148 10.788 -5.073 1.00 0.00 N ATOM 807 CA GLY A 140 3.419 10.841 -3.769 1.00 0.00 C ATOM 808 C GLY A 140 2.133 9.958 -3.677 1.00 0.00 C ATOM 809 O GLY A 140 1.720 9.589 -2.576 1.00 0.00 O ATOM 0 H GLY A 140 4.776 9.989 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.104 10.537 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.142 11.876 -3.570 1.00 0.00 H new ATOM 813 N VAL A 141 1.534 9.625 -4.835 1.00 0.00 N ATOM 814 CA VAL A 141 0.310 8.758 -4.976 1.00 0.00 C ATOM 815 C VAL A 141 0.834 7.403 -5.507 1.00 0.00 C ATOM 816 O VAL A 141 1.784 7.314 -6.300 1.00 0.00 O ATOM 817 CB VAL A 141 -0.841 9.327 -5.910 1.00 0.00 C ATOM 818 CG1 VAL A 141 -2.272 9.199 -5.399 1.00 0.00 C ATOM 819 CG2 VAL A 141 -0.783 10.842 -6.156 1.00 0.00 C ATOM 0 H VAL A 141 1.885 9.952 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.183 8.691 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 141 -0.640 8.705 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.959 9.625 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -2.511 8.147 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -2.370 9.734 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -1.608 11.137 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.863 11.368 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 141 0.163 11.097 -6.634 1.00 0.00 H new ATOM 829 N ILE A 142 0.146 6.347 -5.063 1.00 0.00 N ATOM 830 CA ILE A 142 0.534 4.961 -5.393 1.00 0.00 C ATOM 831 C ILE A 142 -0.491 4.198 -6.252 1.00 0.00 C ATOM 832 O ILE A 142 -1.649 4.120 -5.858 1.00 0.00 O ATOM 833 CB ILE A 142 0.743 4.043 -4.131 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.210 4.663 -2.783 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.727 2.924 -4.510 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.645 3.622 -1.731 1.00 0.00 C ATOM 0 H ILE A 142 -0.683 6.419 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 142 1.463 5.124 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.274 3.723 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.042 5.340 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.399 5.264 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.888 2.274 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.315 2.341 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.677 3.363 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.956 4.133 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.809 2.959 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.478 3.037 -2.121 1.00 0.00 H new ATOM 848 N ASP A 143 -0.044 3.574 -7.351 1.00 0.00 N ATOM 849 CA ASP A 143 -0.893 2.659 -8.139 1.00 0.00 C ATOM 850 C ASP A 143 -0.639 1.220 -7.564 1.00 0.00 C ATOM 851 O ASP A 143 0.323 0.959 -6.819 1.00 0.00 O ATOM 852 CB ASP A 143 -0.634 2.824 -9.653 1.00 0.00 C ATOM 853 CG ASP A 143 0.746 2.523 -10.242 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.571 1.864 -9.569 1.00 0.00 O ATOM 855 OD2 ASP A 143 0.974 2.909 -11.407 1.00 0.00 O ATOM 0 H ASP A 143 0.901 3.684 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.956 2.882 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.351 2.189 -10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.876 3.855 -9.910 1.00 0.00 H new ATOM 860 N ILE A 144 -1.506 0.252 -7.889 1.00 0.00 N ATOM 861 CA ILE A 144 -1.339 -1.147 -7.386 1.00 0.00 C ATOM 862 C ILE A 144 0.075 -1.762 -7.755 1.00 0.00 C ATOM 863 O ILE A 144 0.652 -2.338 -6.828 1.00 0.00 O ATOM 864 CB ILE A 144 -2.514 -2.115 -7.840 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.967 -1.548 -7.766 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.460 -3.504 -7.141 1.00 0.00 C ATOM 867 CD1 ILE A 144 -5.117 -2.498 -8.151 1.00 0.00 C ATOM 0 H ILE A 144 -2.321 0.392 -8.486 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.391 -1.068 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.302 -2.223 -8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.142 -1.202 -6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -4.021 -0.673 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.288 -4.120 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.516 -3.995 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.538 -3.372 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -6.069 -1.975 -8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.987 -2.828 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -5.110 -3.364 -7.489 1.00 0.00 H new ATOM 879 N PRO A 145 0.702 -1.641 -8.974 1.00 0.00 N ATOM 880 CA PRO A 145 2.045 -2.209 -9.263 1.00 0.00 C ATOM 881 C PRO A 145 3.272 -1.762 -8.414 1.00 0.00 C ATOM 882 O PRO A 145 4.218 -2.542 -8.377 1.00 0.00 O ATOM 883 CB PRO A 145 2.235 -1.960 -10.770 1.00 0.00 C ATOM 884 CG PRO A 145 0.812 -1.885 -11.323 1.00 0.00 C ATOM 885 CD PRO A 145 0.068 -1.147 -10.213 1.00 0.00 C ATOM 0 HA PRO A 145 2.035 -3.256 -8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.783 -1.036 -10.954 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.802 -2.765 -11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.771 -1.344 -12.269 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.394 -2.875 -11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.172 -0.066 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.999 -1.368 -10.232 1.00 0.00 H new ATOM 893 N GLU A 146 3.310 -0.591 -7.730 1.00 0.00 N ATOM 894 CA GLU A 146 4.462 -0.174 -6.888 1.00 0.00 C ATOM 895 C GLU A 146 4.570 -1.086 -5.625 1.00 0.00 C ATOM 896 O GLU A 146 5.491 -1.908 -5.565 1.00 0.00 O ATOM 897 CB GLU A 146 4.221 1.343 -6.627 1.00 0.00 C ATOM 898 CG GLU A 146 4.901 2.339 -7.591 1.00 0.00 C ATOM 899 CD GLU A 146 4.772 2.277 -9.108 1.00 0.00 C ATOM 900 OE1 GLU A 146 5.050 1.218 -9.711 1.00 0.00 O ATOM 901 OE2 GLU A 146 4.527 3.344 -9.710 1.00 0.00 O ATOM 0 H GLU A 146 2.549 0.088 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 146 5.440 -0.298 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.147 1.525 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.556 1.570 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.558 3.331 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.968 2.293 -7.374 1.00 0.00 H new ATOM 908 N PHE A 147 3.620 -0.971 -4.665 1.00 0.00 N ATOM 909 CA PHE A 147 3.523 -1.846 -3.449 1.00 0.00 C ATOM 910 C PHE A 147 3.596 -3.384 -3.776 1.00 0.00 C ATOM 911 O PHE A 147 4.293 -4.153 -3.095 1.00 0.00 O ATOM 912 CB PHE A 147 2.227 -1.429 -2.691 1.00 0.00 C ATOM 913 CG PHE A 147 1.786 -2.300 -1.496 1.00 0.00 C ATOM 914 CD1 PHE A 147 2.419 -2.248 -0.249 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.687 -3.143 -1.668 1.00 0.00 C ATOM 916 CE1 PHE A 147 1.928 -3.023 0.809 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.136 -3.813 -0.583 1.00 0.00 C ATOM 918 CZ PHE A 147 0.776 -3.788 0.645 1.00 0.00 C ATOM 0 H PHE A 147 2.887 -0.263 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 147 4.392 -1.693 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 147 2.362 -0.409 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.409 -1.408 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 147 3.281 -1.614 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.262 -3.275 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 147 2.445 -3.027 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.792 -4.354 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.383 -4.360 1.473 1.00 0.00 H new ATOM 928 N MET A 148 2.878 -3.805 -4.836 1.00 0.00 N ATOM 929 CA MET A 148 2.892 -5.210 -5.301 1.00 0.00 C ATOM 930 C MET A 148 4.276 -5.618 -5.881 1.00 0.00 C ATOM 931 O MET A 148 4.649 -6.747 -5.581 1.00 0.00 O ATOM 932 CB MET A 148 1.696 -5.542 -6.224 1.00 0.00 C ATOM 933 CG MET A 148 0.379 -5.567 -5.437 1.00 0.00 C ATOM 934 SD MET A 148 -0.676 -6.919 -5.959 1.00 0.00 S ATOM 935 CE MET A 148 0.124 -8.251 -5.054 1.00 0.00 C ATOM 0 H MET A 148 2.279 -3.192 -5.389 1.00 0.00 H new ATOM 0 HA MET A 148 2.748 -5.842 -4.424 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.632 -4.802 -7.022 1.00 0.00 H new ATOM 0 HB3 MET A 148 1.857 -6.510 -6.699 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.592 -5.661 -4.372 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.146 -4.621 -5.574 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.178 -9.138 -5.685 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.131 -7.945 -4.771 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.451 -8.478 -4.157 1.00 0.00 H new ATOM 945 N ASP A 149 5.047 -4.819 -6.667 1.00 0.00 N ATOM 946 CA ASP A 149 6.440 -5.210 -7.080 1.00 0.00 C ATOM 947 C ASP A 149 7.365 -5.312 -5.800 1.00 0.00 C ATOM 948 O ASP A 149 8.097 -6.304 -5.638 1.00 0.00 O ATOM 949 CB ASP A 149 6.995 -4.244 -8.157 1.00 0.00 C ATOM 950 CG ASP A 149 7.898 -4.906 -9.196 1.00 0.00 C ATOM 951 OD1 ASP A 149 8.875 -5.585 -8.818 1.00 0.00 O ATOM 952 OD2 ASP A 149 7.614 -4.759 -10.406 1.00 0.00 O ATOM 0 H ASP A 149 4.743 -3.914 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 149 6.420 -6.195 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.157 -3.772 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.554 -3.450 -7.662 1.00 0.00 H new ATOM 957 N LEU A 150 7.235 -4.307 -4.879 1.00 0.00 N ATOM 958 CA LEU A 150 7.889 -4.217 -3.559 1.00 0.00 C ATOM 959 C LEU A 150 7.781 -5.565 -2.752 1.00 0.00 C ATOM 960 O LEU A 150 8.810 -6.045 -2.267 1.00 0.00 O ATOM 961 CB LEU A 150 7.142 -3.002 -2.891 1.00 0.00 C ATOM 962 CG LEU A 150 7.914 -1.699 -2.582 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.294 -0.419 -3.201 1.00 0.00 C ATOM 964 CD2 LEU A 150 7.846 -1.525 -1.076 1.00 0.00 C ATOM 0 H LEU A 150 6.636 -3.501 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 150 8.966 -4.058 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 150 6.306 -2.738 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.717 -3.358 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 150 8.916 -1.802 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.901 0.446 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 150 7.263 -0.518 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.282 -0.284 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 150 8.376 -0.616 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 150 6.804 -1.450 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 150 8.309 -2.383 -0.589 1.00 0.00 H new ATOM 976 N ILE A 151 6.575 -6.193 -2.655 1.00 0.00 N ATOM 977 CA ILE A 151 6.383 -7.503 -1.959 1.00 0.00 C ATOM 978 C ILE A 151 6.599 -8.715 -2.940 1.00 0.00 C ATOM 979 O ILE A 151 7.075 -9.747 -2.466 1.00 0.00 O ATOM 980 CB ILE A 151 5.026 -7.544 -1.178 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.920 -6.375 -0.149 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.832 -8.891 -0.427 1.00 0.00 C ATOM 983 CD1 ILE A 151 3.537 -6.151 0.455 1.00 0.00 C ATOM 0 H ILE A 151 5.716 -5.812 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 151 7.157 -7.606 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 151 4.242 -7.437 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.624 -6.563 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.236 -5.454 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.879 -8.879 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.838 -9.712 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.642 -9.029 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 151 3.577 -5.317 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.825 -5.925 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 151 3.220 -7.051 0.981 1.00 0.00 H new ATOM 995 N LYS A 152 6.248 -8.655 -4.249 1.00 0.00 N ATOM 996 CA LYS A 152 6.512 -9.756 -5.238 1.00 0.00 C ATOM 997 C LYS A 152 8.021 -10.194 -5.271 1.00 0.00 C ATOM 998 O LYS A 152 8.280 -11.403 -5.325 1.00 0.00 O ATOM 999 CB LYS A 152 6.032 -9.369 -6.672 1.00 0.00 C ATOM 1000 CG LYS A 152 4.522 -9.500 -7.013 1.00 0.00 C ATOM 1001 CD LYS A 152 4.052 -10.941 -7.311 1.00 0.00 C ATOM 1002 CE LYS A 152 2.677 -11.002 -8.017 1.00 0.00 C ATOM 1003 NZ LYS A 152 2.146 -12.393 -7.941 1.00 0.00 N ATOM 0 H LYS A 152 5.775 -7.849 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 152 5.930 -10.611 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.323 -8.334 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 152 6.586 -9.982 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 152 3.940 -9.107 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 152 4.303 -8.874 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.796 -11.437 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.998 -11.499 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 152 1.981 -10.309 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.776 -10.694 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 1.221 -12.438 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 2.808 -13.043 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 2.038 -12.669 -6.944 1.00 0.00 H new