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= 0.395 K(o=0.4,f=-5.9!) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 2.05 (180deg=1.77) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 131 MET CE :methyl -151:sc= -0.394 (180deg=-0.775) USER MOD Single : A 132 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.0283!) USER MOD Single : A 139 ASN : amide:sc= -0.0932 K(o=-0.093,f=-1.7!) USER MOD Single : A 148 MET CE :methyl -163:sc= -2.62 (180deg=-3.64!) USER MOD Single : A 152 LYS NZ :NH3+ -132:sc= 1.13 (180deg=-1.35) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.097 -10.378 2.131 1.00 0.00 N ATOM 32 CA GLU A 89 -2.656 -9.054 2.611 1.00 0.00 C ATOM 33 C GLU A 89 -2.379 -8.017 1.495 1.00 0.00 C ATOM 34 O GLU A 89 -2.929 -6.918 1.576 1.00 0.00 O ATOM 35 CB GLU A 89 -1.492 -9.200 3.630 1.00 0.00 C ATOM 36 CG GLU A 89 -0.115 -9.714 3.136 1.00 0.00 C ATOM 37 CD GLU A 89 0.874 -9.976 4.257 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.764 -11.040 4.903 1.00 0.00 O ATOM 39 OE2 GLU A 89 1.762 -9.133 4.492 1.00 0.00 O ATOM 0 HA GLU A 89 -3.506 -8.620 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.333 -8.224 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.829 -9.872 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.262 -10.634 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.312 -8.982 2.450 1.00 0.00 H new ATOM 46 N ILE A 90 -1.676 -8.369 0.404 1.00 0.00 N ATOM 47 CA ILE A 90 -1.366 -7.381 -0.639 1.00 0.00 C ATOM 48 C ILE A 90 -2.541 -7.044 -1.569 1.00 0.00 C ATOM 49 O ILE A 90 -2.942 -5.877 -1.484 1.00 0.00 O ATOM 50 CB ILE A 90 -0.079 -7.717 -1.456 1.00 0.00 C ATOM 51 CG1 ILE A 90 1.178 -8.043 -0.631 1.00 0.00 C ATOM 52 CG2 ILE A 90 0.282 -6.499 -2.351 1.00 0.00 C ATOM 53 CD1 ILE A 90 1.386 -9.514 -0.239 1.00 0.00 C ATOM 0 H ILE A 90 -1.320 -9.308 0.225 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.160 -6.474 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.337 -8.619 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.050 -7.715 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.149 -7.449 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.180 -6.724 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.543 -6.291 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.462 -5.627 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.305 -9.610 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.542 -9.853 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.458 -10.124 -1.140 1.00 0.00 H new ATOM 65 N LEU A 91 -3.077 -7.927 -2.452 1.00 0.00 N ATOM 66 CA LEU A 91 -4.189 -7.441 -3.316 1.00 0.00 C ATOM 67 C LEU A 91 -5.498 -7.306 -2.488 1.00 0.00 C ATOM 68 O LEU A 91 -6.180 -6.319 -2.765 1.00 0.00 O ATOM 69 CB LEU A 91 -4.366 -8.118 -4.704 1.00 0.00 C ATOM 70 CG LEU A 91 -4.431 -9.617 -5.024 1.00 0.00 C ATOM 71 CD1 LEU A 91 -3.057 -10.302 -4.904 1.00 0.00 C ATOM 72 CD2 LEU A 91 -5.608 -10.300 -4.318 1.00 0.00 C ATOM 0 H LEU A 91 -2.791 -8.897 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.881 -6.447 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.289 -7.701 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.549 -7.733 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.667 -9.740 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.157 -11.361 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.358 -9.839 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.683 -10.191 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.618 -11.360 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.501 -10.185 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.542 -9.841 -4.641 1.00 0.00 H new ATOM 84 N ARG A 92 -5.865 -8.110 -1.449 1.00 0.00 N ATOM 85 CA ARG A 92 -7.115 -7.822 -0.693 1.00 0.00 C ATOM 86 C ARG A 92 -6.920 -6.490 0.135 1.00 0.00 C ATOM 87 O ARG A 92 -7.791 -5.611 -0.028 1.00 0.00 O ATOM 88 CB ARG A 92 -7.669 -9.041 0.120 1.00 0.00 C ATOM 89 CG ARG A 92 -7.721 -10.412 -0.628 1.00 0.00 C ATOM 90 CD ARG A 92 -8.233 -11.616 0.204 1.00 0.00 C ATOM 91 NE ARG A 92 -7.812 -12.902 -0.442 1.00 0.00 N ATOM 92 CZ ARG A 92 -7.565 -14.051 0.201 1.00 0.00 C ATOM 93 NH1 ARG A 92 -7.947 -14.304 1.424 1.00 0.00 N ATOM 94 NH2 ARG A 92 -6.887 -14.986 -0.397 1.00 0.00 N ATOM 0 H ARG A 92 -5.341 -8.924 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.924 -7.651 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.056 -9.163 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.677 -8.797 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.360 -10.302 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.720 -10.645 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.837 -11.562 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.319 -11.578 0.283 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.705 -12.902 -1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.468 -13.603 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.724 -15.202 1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.548 -14.841 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.694 -15.864 0.085 1.00 0.00 H new ATOM 108 N ALA A 93 -5.780 -6.240 0.879 1.00 0.00 N ATOM 109 CA ALA A 93 -5.651 -4.962 1.627 1.00 0.00 C ATOM 110 C ALA A 93 -5.446 -3.756 0.686 1.00 0.00 C ATOM 111 O ALA A 93 -6.301 -2.873 0.745 1.00 0.00 O ATOM 112 CB ALA A 93 -4.607 -4.951 2.758 1.00 0.00 C ATOM 0 H ALA A 93 -4.988 -6.877 0.965 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.614 -4.867 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.598 -3.971 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.862 -5.711 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.621 -5.163 2.345 1.00 0.00 H new ATOM 118 N PHE A 94 -4.416 -3.701 -0.196 1.00 0.00 N ATOM 119 CA PHE A 94 -4.245 -2.551 -1.135 1.00 0.00 C ATOM 120 C PHE A 94 -5.472 -2.315 -2.039 1.00 0.00 C ATOM 121 O PHE A 94 -5.913 -1.165 -2.120 1.00 0.00 O ATOM 122 CB PHE A 94 -3.002 -2.695 -2.070 1.00 0.00 C ATOM 123 CG PHE A 94 -2.572 -1.423 -2.863 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.405 -0.862 -3.847 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.388 -0.760 -2.542 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.114 0.369 -4.414 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.054 0.439 -3.167 1.00 0.00 C ATOM 128 CZ PHE A 94 -1.935 1.023 -4.080 1.00 0.00 C ATOM 0 H PHE A 94 -3.701 -4.423 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.108 -1.701 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.156 -3.021 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.206 -3.490 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.286 -1.399 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.724 -1.180 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.803 0.819 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.112 0.918 -2.945 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.701 1.979 -4.524 1.00 0.00 H new ATOM 138 N LYS A 95 -5.983 -3.351 -2.744 1.00 0.00 N ATOM 139 CA LYS A 95 -7.143 -3.147 -3.644 1.00 0.00 C ATOM 140 C LYS A 95 -8.416 -2.669 -2.848 1.00 0.00 C ATOM 141 O LYS A 95 -9.173 -1.910 -3.462 1.00 0.00 O ATOM 142 CB LYS A 95 -7.338 -4.347 -4.610 1.00 0.00 C ATOM 143 CG LYS A 95 -6.116 -4.837 -5.484 1.00 0.00 C ATOM 144 CD LYS A 95 -6.660 -5.585 -6.722 1.00 0.00 C ATOM 145 CE LYS A 95 -5.579 -6.141 -7.662 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.179 -6.379 -9.001 1.00 0.00 N ATOM 0 H LYS A 95 -5.626 -4.306 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.936 -2.314 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.678 -5.195 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.148 -4.091 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.508 -3.987 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.472 -5.493 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.288 -6.410 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.300 -4.907 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.750 -5.438 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.172 -7.069 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.454 -6.756 -9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.956 -7.065 -8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.547 -5.483 -9.381 1.00 0.00 H new ATOM 160 N VAL A 96 -8.680 -3.029 -1.542 1.00 0.00 N ATOM 161 CA VAL A 96 -9.805 -2.356 -0.799 1.00 0.00 C ATOM 162 C VAL A 96 -9.418 -0.839 -0.518 1.00 0.00 C ATOM 163 O VAL A 96 -10.236 0.062 -0.719 1.00 0.00 O ATOM 164 CB VAL A 96 -10.274 -3.086 0.513 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.551 -2.737 1.833 1.00 0.00 C ATOM 166 CG2 VAL A 96 -11.750 -2.771 0.814 1.00 0.00 C ATOM 0 H VAL A 96 -8.166 -3.734 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.677 -2.410 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.050 -4.123 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.982 -3.317 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.491 -2.973 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.669 -1.674 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.053 -3.286 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.873 -1.696 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.371 -3.107 -0.017 1.00 0.00 H new ATOM 176 N PHE A 97 -8.163 -0.612 -0.055 1.00 0.00 N ATOM 177 CA PHE A 97 -7.559 0.706 0.272 1.00 0.00 C ATOM 178 C PHE A 97 -7.621 1.806 -0.845 1.00 0.00 C ATOM 179 O PHE A 97 -7.683 2.986 -0.491 1.00 0.00 O ATOM 180 CB PHE A 97 -6.104 0.410 0.733 1.00 0.00 C ATOM 181 CG PHE A 97 -5.494 1.212 1.882 1.00 0.00 C ATOM 182 CD1 PHE A 97 -5.105 2.529 1.656 1.00 0.00 C ATOM 183 CD2 PHE A 97 -5.094 0.570 3.065 1.00 0.00 C ATOM 184 CE1 PHE A 97 -4.263 3.168 2.547 1.00 0.00 C ATOM 185 CE2 PHE A 97 -4.280 1.234 3.982 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.853 2.531 3.715 1.00 0.00 C ATOM 0 H PHE A 97 -7.512 -1.380 0.109 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.162 1.169 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -6.059 -0.643 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.456 0.539 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.462 3.053 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.418 -0.441 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.920 4.170 2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.982 0.743 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.205 3.042 4.412 1.00 0.00 H new ATOM 196 N ASP A 98 -7.591 1.445 -2.160 1.00 0.00 N ATOM 197 CA ASP A 98 -7.703 2.405 -3.306 1.00 0.00 C ATOM 198 C ASP A 98 -9.045 3.219 -3.167 1.00 0.00 C ATOM 199 O ASP A 98 -10.108 2.610 -2.981 1.00 0.00 O ATOM 200 CB ASP A 98 -7.497 1.586 -4.644 1.00 0.00 C ATOM 201 CG ASP A 98 -8.061 1.986 -6.031 1.00 0.00 C ATOM 202 OD1 ASP A 98 -8.143 3.227 -6.259 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.420 1.124 -6.782 1.00 0.00 O ATOM 0 H ASP A 98 -7.488 0.475 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.929 3.173 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.419 1.495 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.880 0.585 -4.443 1.00 0.00 H new ATOM 208 N ALA A 99 -8.996 4.583 -3.167 1.00 0.00 N ATOM 209 CA ALA A 99 -10.238 5.466 -3.063 1.00 0.00 C ATOM 210 C ALA A 99 -11.261 5.542 -4.250 1.00 0.00 C ATOM 211 O ALA A 99 -12.037 6.468 -4.504 1.00 0.00 O ATOM 212 CB ALA A 99 -9.759 6.889 -2.732 1.00 0.00 C ATOM 0 H ALA A 99 -8.125 5.109 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.832 4.968 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.620 7.553 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.216 6.879 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.101 7.245 -3.525 1.00 0.00 H new ATOM 218 N ASN A 100 -11.202 4.402 -4.887 1.00 0.00 N ATOM 219 CA ASN A 100 -11.795 3.875 -6.052 1.00 0.00 C ATOM 220 C ASN A 100 -11.020 4.675 -7.206 1.00 0.00 C ATOM 221 O ASN A 100 -10.623 5.846 -7.196 1.00 0.00 O ATOM 222 CB ASN A 100 -13.292 3.726 -6.307 1.00 0.00 C ATOM 223 CG ASN A 100 -13.489 2.493 -7.310 1.00 0.00 C ATOM 224 OD1 ASN A 100 -12.535 1.780 -7.717 1.00 0.00 O ATOM 225 ND2 ASN A 100 -14.703 2.207 -7.761 1.00 0.00 N ATOM 0 H ASN A 100 -10.596 3.683 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.687 2.794 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.824 3.549 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -13.700 4.640 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.836 1.434 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -15.504 2.760 -7.456 1.00 0.00 H new ATOM 232 N GLY A 101 -10.929 3.910 -8.235 1.00 0.00 N ATOM 233 CA GLY A 101 -10.320 4.014 -9.571 1.00 0.00 C ATOM 234 C GLY A 101 -9.101 3.090 -9.654 1.00 0.00 C ATOM 235 O GLY A 101 -7.997 3.592 -9.881 1.00 0.00 O ATOM 0 H GLY A 101 -11.369 2.992 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.048 3.742 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.022 5.044 -9.767 1.00 0.00 H new ATOM 239 N ASP A 102 -9.352 1.734 -9.458 1.00 0.00 N ATOM 240 CA ASP A 102 -8.291 0.718 -9.386 1.00 0.00 C ATOM 241 C ASP A 102 -6.997 0.958 -10.183 1.00 0.00 C ATOM 242 O ASP A 102 -6.840 0.885 -11.407 1.00 0.00 O ATOM 243 CB ASP A 102 -8.492 -0.819 -9.108 1.00 0.00 C ATOM 244 CG ASP A 102 -7.642 -1.273 -7.830 1.00 0.00 C ATOM 245 OD1 ASP A 102 -6.809 -0.461 -7.269 1.00 0.00 O ATOM 246 OD2 ASP A 102 -7.830 -2.436 -7.411 1.00 0.00 O ATOM 0 H ASP A 102 -10.292 1.352 -9.351 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.270 1.060 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.549 -1.030 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.184 -1.396 -9.980 1.00 0.00 H new ATOM 251 N GLY A 103 -6.094 1.114 -9.253 1.00 0.00 N ATOM 252 CA GLY A 103 -4.701 1.371 -9.450 1.00 0.00 C ATOM 253 C GLY A 103 -4.267 2.601 -8.674 1.00 0.00 C ATOM 254 O GLY A 103 -3.419 3.306 -9.214 1.00 0.00 O ATOM 0 H GLY A 103 -6.336 1.060 -8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.118 0.508 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.499 1.515 -10.511 1.00 0.00 H new ATOM 258 N VAL A 104 -4.895 2.972 -7.514 1.00 0.00 N ATOM 259 CA VAL A 104 -4.374 4.169 -6.761 1.00 0.00 C ATOM 260 C VAL A 104 -4.878 4.404 -5.290 1.00 0.00 C ATOM 261 O VAL A 104 -6.068 4.383 -4.989 1.00 0.00 O ATOM 262 CB VAL A 104 -4.479 5.596 -7.445 1.00 0.00 C ATOM 263 CG1 VAL A 104 -3.089 6.265 -7.664 1.00 0.00 C ATOM 264 CG2 VAL A 104 -5.357 5.730 -8.676 1.00 0.00 C ATOM 0 H VAL A 104 -5.702 2.504 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.345 3.811 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.032 6.152 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.224 7.239 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.591 6.393 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.478 5.632 -8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.330 6.760 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.990 5.066 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.382 5.460 -8.423 1.00 0.00 H new ATOM 274 N ILE A 105 -3.912 4.875 -4.490 1.00 0.00 N ATOM 275 CA ILE A 105 -4.017 5.300 -3.073 1.00 0.00 C ATOM 276 C ILE A 105 -3.190 6.630 -2.986 1.00 0.00 C ATOM 277 O ILE A 105 -2.028 6.696 -3.408 1.00 0.00 O ATOM 278 CB ILE A 105 -3.353 4.314 -2.054 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.030 2.925 -2.011 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.363 4.885 -0.602 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.190 1.917 -1.221 1.00 0.00 C ATOM 0 H ILE A 105 -2.959 4.980 -4.837 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.074 5.371 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.331 4.200 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.017 3.014 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.179 2.560 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.893 4.170 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.811 5.825 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.392 5.060 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.695 0.951 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.212 1.810 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.064 2.271 -0.198 1.00 0.00 H new ATOM 293 N ASP A 106 -3.778 7.629 -2.315 1.00 0.00 N ATOM 294 CA ASP A 106 -3.142 8.943 -2.035 1.00 0.00 C ATOM 295 C ASP A 106 -2.690 9.059 -0.537 1.00 0.00 C ATOM 296 O ASP A 106 -2.810 8.114 0.252 1.00 0.00 O ATOM 297 CB ASP A 106 -4.085 10.071 -2.539 1.00 0.00 C ATOM 298 CG ASP A 106 -5.445 10.208 -1.837 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.479 10.590 -0.646 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.478 9.916 -2.475 1.00 0.00 O ATOM 0 H ASP A 106 -4.724 7.555 -1.941 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.209 9.048 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.558 11.020 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.267 9.911 -3.602 1.00 0.00 H new ATOM 305 N PHE A 107 -2.124 10.215 -0.142 1.00 0.00 N ATOM 306 CA PHE A 107 -1.635 10.443 1.236 1.00 0.00 C ATOM 307 C PHE A 107 -2.756 10.721 2.284 1.00 0.00 C ATOM 308 O PHE A 107 -2.734 10.110 3.362 1.00 0.00 O ATOM 309 CB PHE A 107 -0.531 11.543 1.194 1.00 0.00 C ATOM 310 CG PHE A 107 0.765 11.163 1.939 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.754 10.798 3.292 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.961 11.078 1.217 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.911 10.309 3.892 1.00 0.00 C ATOM 314 CE2 PHE A 107 3.122 10.614 1.829 1.00 0.00 C ATOM 315 CZ PHE A 107 3.093 10.221 3.163 1.00 0.00 C ATOM 0 H PHE A 107 -1.992 11.014 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.200 9.512 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.289 11.760 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.930 12.460 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.153 10.896 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.983 11.374 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.891 9.997 4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.044 10.559 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.990 9.847 3.634 1.00 0.00 H new ATOM 325 N ASP A 108 -3.728 11.612 1.973 1.00 0.00 N ATOM 326 CA ASP A 108 -4.859 11.929 2.894 1.00 0.00 C ATOM 327 C ASP A 108 -5.752 10.667 3.156 1.00 0.00 C ATOM 328 O ASP A 108 -5.901 10.318 4.335 1.00 0.00 O ATOM 329 CB ASP A 108 -5.665 13.180 2.443 1.00 0.00 C ATOM 330 CG ASP A 108 -4.871 14.491 2.460 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.535 14.972 3.566 1.00 0.00 O ATOM 332 OD2 ASP A 108 -4.583 15.042 1.376 1.00 0.00 O ATOM 0 H ASP A 108 -3.756 12.127 1.093 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.429 12.206 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.039 13.010 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.535 13.289 3.091 1.00 0.00 H new ATOM 337 N GLU A 109 -6.279 9.935 2.135 1.00 0.00 N ATOM 338 CA GLU A 109 -7.050 8.674 2.394 1.00 0.00 C ATOM 339 C GLU A 109 -6.222 7.595 3.183 1.00 0.00 C ATOM 340 O GLU A 109 -6.824 6.856 3.958 1.00 0.00 O ATOM 341 CB GLU A 109 -7.686 8.114 1.094 1.00 0.00 C ATOM 342 CG GLU A 109 -8.571 6.833 1.243 1.00 0.00 C ATOM 343 CD GLU A 109 -9.817 6.896 2.169 1.00 0.00 C ATOM 344 OE1 GLU A 109 -10.892 7.260 1.653 1.00 0.00 O ATOM 345 OE2 GLU A 109 -9.759 6.580 3.385 1.00 0.00 O ATOM 0 H GLU A 109 -6.191 10.183 1.149 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.872 8.944 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.296 8.899 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.884 7.894 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.912 6.548 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.931 6.028 1.603 1.00 0.00 H new ATOM 352 N PHE A 110 -4.877 7.519 3.040 1.00 0.00 N ATOM 353 CA PHE A 110 -4.019 6.570 3.817 1.00 0.00 C ATOM 354 C PHE A 110 -4.037 6.981 5.334 1.00 0.00 C ATOM 355 O PHE A 110 -4.370 6.156 6.203 1.00 0.00 O ATOM 356 CB PHE A 110 -2.604 6.540 3.153 1.00 0.00 C ATOM 357 CG PHE A 110 -1.623 5.390 3.459 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.108 5.183 4.743 1.00 0.00 C ATOM 359 CD2 PHE A 110 -1.148 4.596 2.404 1.00 0.00 C ATOM 360 CE1 PHE A 110 -0.136 4.207 4.967 1.00 0.00 C ATOM 361 CE2 PHE A 110 -0.189 3.616 2.629 1.00 0.00 C ATOM 362 CZ PHE A 110 0.330 3.435 3.905 1.00 0.00 C ATOM 0 H PHE A 110 -4.353 8.105 2.391 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.393 5.547 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.754 6.557 2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.103 7.471 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.465 5.783 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.532 4.748 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.254 4.050 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.152 2.996 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.097 2.694 4.074 1.00 0.00 H new ATOM 372 N LYS A 111 -3.749 8.283 5.612 1.00 0.00 N ATOM 373 CA LYS A 111 -3.842 8.866 6.982 1.00 0.00 C ATOM 374 C LYS A 111 -5.255 8.672 7.662 1.00 0.00 C ATOM 375 O LYS A 111 -5.308 8.438 8.873 1.00 0.00 O ATOM 376 CB LYS A 111 -3.428 10.362 6.834 1.00 0.00 C ATOM 377 CG LYS A 111 -3.100 11.147 8.132 1.00 0.00 C ATOM 378 CD LYS A 111 -1.599 11.320 8.471 1.00 0.00 C ATOM 379 CE LYS A 111 -0.812 12.214 7.485 1.00 0.00 C ATOM 380 NZ LYS A 111 0.564 12.435 7.997 1.00 0.00 N ATOM 0 H LYS A 111 -3.449 8.951 4.902 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.176 8.342 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.554 10.406 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.234 10.885 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.549 12.137 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.583 10.642 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.513 11.743 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.131 10.336 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.773 11.742 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.321 13.169 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.009 13.213 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.524 12.679 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.124 11.568 7.872 1.00 0.00 H new ATOM 394 N PHE A 112 -6.367 8.721 6.891 1.00 0.00 N ATOM 395 CA PHE A 112 -7.739 8.522 7.358 1.00 0.00 C ATOM 396 C PHE A 112 -8.070 7.036 7.654 1.00 0.00 C ATOM 397 O PHE A 112 -8.467 6.733 8.774 1.00 0.00 O ATOM 398 CB PHE A 112 -8.594 8.977 6.149 1.00 0.00 C ATOM 399 CG PHE A 112 -8.698 10.405 5.646 1.00 0.00 C ATOM 400 CD1 PHE A 112 -7.999 11.463 6.219 1.00 0.00 C ATOM 401 CD2 PHE A 112 -9.472 10.607 4.503 1.00 0.00 C ATOM 402 CE1 PHE A 112 -8.124 12.745 5.687 1.00 0.00 C ATOM 403 CE2 PHE A 112 -9.595 11.888 3.968 1.00 0.00 C ATOM 404 CZ PHE A 112 -8.934 12.960 4.570 1.00 0.00 C ATOM 0 H PHE A 112 -6.320 8.908 5.889 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.916 9.063 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.252 8.385 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -9.614 8.661 6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.361 11.291 7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.974 9.774 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -7.595 13.571 6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -10.201 12.051 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.049 13.957 4.171 1.00 0.00 H new ATOM 414 N ILE A 113 -7.924 6.144 6.646 1.00 0.00 N ATOM 415 CA ILE A 113 -8.197 4.677 6.730 1.00 0.00 C ATOM 416 C ILE A 113 -7.407 3.959 7.858 1.00 0.00 C ATOM 417 O ILE A 113 -7.925 3.029 8.481 1.00 0.00 O ATOM 418 CB ILE A 113 -8.034 4.116 5.292 1.00 0.00 C ATOM 419 CG1 ILE A 113 -8.881 2.882 4.915 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.602 3.944 4.898 1.00 0.00 C ATOM 421 CD1 ILE A 113 -8.382 1.487 5.317 1.00 0.00 C ATOM 0 H ILE A 113 -7.603 6.427 5.720 1.00 0.00 H new ATOM 0 HA ILE A 113 -9.217 4.475 7.058 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.471 4.912 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -9.871 3.016 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.007 2.887 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.549 3.549 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.095 4.908 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.117 3.249 5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.093 0.734 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.410 1.302 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.288 1.433 6.402 1.00 0.00 H new ATOM 433 N MET A 114 -6.152 4.396 8.092 1.00 0.00 N ATOM 434 CA MET A 114 -5.341 3.930 9.252 1.00 0.00 C ATOM 435 C MET A 114 -6.144 4.147 10.605 1.00 0.00 C ATOM 436 O MET A 114 -6.297 3.227 11.410 1.00 0.00 O ATOM 437 CB MET A 114 -4.029 4.763 9.202 1.00 0.00 C ATOM 438 CG MET A 114 -2.961 4.399 10.233 1.00 0.00 C ATOM 439 SD MET A 114 -1.555 3.610 9.411 1.00 0.00 S ATOM 440 CE MET A 114 -0.373 3.457 10.765 1.00 0.00 C ATOM 0 H MET A 114 -5.672 5.071 7.497 1.00 0.00 H new ATOM 0 HA MET A 114 -5.118 2.864 9.207 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.595 4.660 8.208 1.00 0.00 H new ATOM 0 HB3 MET A 114 -4.285 5.815 9.330 1.00 0.00 H new ATOM 0 HG2 MET A 114 -2.630 5.295 10.759 1.00 0.00 H new ATOM 0 HG3 MET A 114 -3.380 3.727 10.982 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.540 2.987 10.400 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.139 4.447 11.158 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.804 2.845 11.557 1.00 0.00 H new ATOM 575 N THR A 123 0.397 8.979 15.553 1.00 0.00 N ATOM 576 CA THR A 123 1.593 9.779 15.178 1.00 0.00 C ATOM 577 C THR A 123 1.825 9.706 13.646 1.00 0.00 C ATOM 578 O THR A 123 1.677 8.651 13.016 1.00 0.00 O ATOM 579 CB THR A 123 2.880 9.363 15.950 1.00 0.00 C ATOM 580 OG1 THR A 123 3.240 8.016 15.684 1.00 0.00 O ATOM 581 CG2 THR A 123 2.808 9.545 17.473 1.00 0.00 C ATOM 0 HA THR A 123 1.386 10.809 15.468 1.00 0.00 H new ATOM 0 HB THR A 123 3.637 10.051 15.573 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.052 7.790 16.183 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.750 9.229 17.922 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.629 10.595 17.706 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.994 8.941 17.874 1.00 0.00 H new ATOM 589 N ASP A 124 2.207 10.858 13.073 1.00 0.00 N ATOM 590 CA ASP A 124 2.515 10.992 11.620 1.00 0.00 C ATOM 591 C ASP A 124 3.680 10.080 11.139 1.00 0.00 C ATOM 592 O ASP A 124 3.588 9.525 10.044 1.00 0.00 O ATOM 593 CB ASP A 124 2.749 12.484 11.271 1.00 0.00 C ATOM 594 CG ASP A 124 1.496 13.354 11.331 1.00 0.00 C ATOM 595 OD1 ASP A 124 0.594 13.158 10.488 1.00 0.00 O ATOM 596 OD2 ASP A 124 1.407 14.232 12.213 1.00 0.00 O ATOM 0 H ASP A 124 2.314 11.728 13.594 1.00 0.00 H new ATOM 0 HA ASP A 124 1.646 10.633 11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 124 3.492 12.892 11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 124 3.172 12.547 10.268 1.00 0.00 H new ATOM 601 N ALA A 125 4.729 9.900 11.969 1.00 0.00 N ATOM 602 CA ALA A 125 5.867 9.000 11.672 1.00 0.00 C ATOM 603 C ALA A 125 5.466 7.519 11.406 1.00 0.00 C ATOM 604 O ALA A 125 6.096 6.909 10.542 1.00 0.00 O ATOM 605 CB ALA A 125 6.865 9.128 12.828 1.00 0.00 C ATOM 0 H ALA A 125 4.812 10.376 12.867 1.00 0.00 H new ATOM 0 HA ALA A 125 6.317 9.312 10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.720 8.477 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.205 10.161 12.903 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.381 8.837 13.760 1.00 0.00 H new ATOM 611 N GLU A 126 4.455 6.936 12.103 1.00 0.00 N ATOM 612 CA GLU A 126 3.973 5.546 11.807 1.00 0.00 C ATOM 613 C GLU A 126 3.398 5.423 10.340 1.00 0.00 C ATOM 614 O GLU A 126 3.802 4.553 9.550 1.00 0.00 O ATOM 615 CB GLU A 126 2.901 5.089 12.844 1.00 0.00 C ATOM 616 CG GLU A 126 3.325 5.001 14.332 1.00 0.00 C ATOM 617 CD GLU A 126 2.906 3.734 15.061 1.00 0.00 C ATOM 618 OE1 GLU A 126 1.740 3.652 15.499 1.00 0.00 O ATOM 619 OE2 GLU A 126 3.747 2.823 15.207 1.00 0.00 O ATOM 0 H GLU A 126 3.958 7.395 12.867 1.00 0.00 H new ATOM 0 HA GLU A 126 4.838 4.888 11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.056 5.775 12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.539 4.107 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.410 5.089 14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.908 5.858 14.861 1.00 0.00 H new ATOM 626 N VAL A 127 2.476 6.359 10.014 1.00 0.00 N ATOM 627 CA VAL A 127 1.797 6.490 8.697 1.00 0.00 C ATOM 628 C VAL A 127 2.827 6.819 7.577 1.00 0.00 C ATOM 629 O VAL A 127 2.849 6.113 6.563 1.00 0.00 O ATOM 630 CB VAL A 127 0.639 7.553 8.786 1.00 0.00 C ATOM 631 CG1 VAL A 127 -0.282 7.534 7.550 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.269 7.452 10.034 1.00 0.00 C ATOM 0 H VAL A 127 2.172 7.069 10.681 1.00 0.00 H new ATOM 0 HA VAL A 127 1.340 5.537 8.431 1.00 0.00 H new ATOM 0 HB VAL A 127 1.196 8.488 8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -1.062 8.287 7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.303 7.752 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.740 6.550 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.031 8.230 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -0.750 6.474 10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.333 7.580 10.933 1.00 0.00 H new ATOM 642 N GLU A 128 3.675 7.863 7.766 1.00 0.00 N ATOM 643 CA GLU A 128 4.749 8.222 6.807 1.00 0.00 C ATOM 644 C GLU A 128 5.767 7.047 6.627 1.00 0.00 C ATOM 645 O GLU A 128 6.175 6.818 5.493 1.00 0.00 O ATOM 646 CB GLU A 128 5.413 9.569 7.219 1.00 0.00 C ATOM 647 CG GLU A 128 4.764 10.853 6.632 1.00 0.00 C ATOM 648 CD GLU A 128 3.452 11.376 7.217 1.00 0.00 C ATOM 649 OE1 GLU A 128 2.422 10.669 7.221 1.00 0.00 O ATOM 650 OE2 GLU A 128 3.413 12.562 7.602 1.00 0.00 O ATOM 0 H GLU A 128 3.633 8.474 8.581 1.00 0.00 H new ATOM 0 HA GLU A 128 4.312 8.380 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.397 9.642 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.460 9.543 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.498 11.655 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.599 10.677 5.569 1.00 0.00 H new ATOM 657 N GLU A 129 6.157 6.278 7.671 1.00 0.00 N ATOM 658 CA GLU A 129 7.044 5.090 7.522 1.00 0.00 C ATOM 659 C GLU A 129 6.389 3.973 6.644 1.00 0.00 C ATOM 660 O GLU A 129 7.037 3.507 5.692 1.00 0.00 O ATOM 661 CB GLU A 129 7.511 4.536 8.890 1.00 0.00 C ATOM 662 CG GLU A 129 8.713 5.275 9.534 1.00 0.00 C ATOM 663 CD GLU A 129 10.038 5.078 8.808 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.722 4.059 9.035 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.361 5.885 7.909 1.00 0.00 O ATOM 0 H GLU A 129 5.871 6.458 8.634 1.00 0.00 H new ATOM 0 HA GLU A 129 7.934 5.433 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.671 4.572 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.776 3.486 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.489 6.341 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.823 4.935 10.564 1.00 0.00 H new ATOM 672 N ALA A 130 5.127 3.563 6.934 1.00 0.00 N ATOM 673 CA ALA A 130 4.427 2.547 6.093 1.00 0.00 C ATOM 674 C ALA A 130 4.237 2.985 4.602 1.00 0.00 C ATOM 675 O ALA A 130 4.562 2.219 3.680 1.00 0.00 O ATOM 676 CB ALA A 130 3.097 2.148 6.759 1.00 0.00 C ATOM 0 H ALA A 130 4.581 3.908 7.723 1.00 0.00 H new ATOM 0 HA ALA A 130 5.072 1.670 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.589 1.406 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 130 3.296 1.726 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.463 3.029 6.863 1.00 0.00 H new ATOM 682 N MET A 131 3.759 4.230 4.374 1.00 0.00 N ATOM 683 CA MET A 131 3.597 4.793 3.007 1.00 0.00 C ATOM 684 C MET A 131 4.961 5.079 2.355 1.00 0.00 C ATOM 685 O MET A 131 5.026 4.857 1.159 1.00 0.00 O ATOM 686 CB MET A 131 2.714 6.065 3.077 1.00 0.00 C ATOM 687 CG MET A 131 2.423 6.852 1.789 1.00 0.00 C ATOM 688 SD MET A 131 1.146 6.085 0.786 1.00 0.00 S ATOM 689 CE MET A 131 0.986 7.321 -0.520 1.00 0.00 C ATOM 0 H MET A 131 3.477 4.868 5.119 1.00 0.00 H new ATOM 0 HA MET A 131 3.099 4.058 2.375 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.755 5.775 3.507 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.184 6.752 3.781 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.117 7.866 2.048 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.339 6.935 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.031 7.306 -0.912 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.205 8.309 -0.115 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.688 7.095 -1.323 1.00 0.00 H new ATOM 699 N LYS A 132 6.021 5.574 3.024 1.00 0.00 N ATOM 700 CA LYS A 132 7.350 5.737 2.368 1.00 0.00 C ATOM 701 C LYS A 132 7.957 4.355 1.959 1.00 0.00 C ATOM 702 O LYS A 132 8.622 4.283 0.925 1.00 0.00 O ATOM 703 CB LYS A 132 8.257 6.641 3.222 1.00 0.00 C ATOM 704 CG LYS A 132 9.044 6.069 4.420 1.00 0.00 C ATOM 705 CD LYS A 132 10.332 5.281 4.076 1.00 0.00 C ATOM 706 CE LYS A 132 10.457 3.964 4.869 1.00 0.00 C ATOM 707 NZ LYS A 132 11.253 4.155 6.111 1.00 0.00 N ATOM 0 H LYS A 132 5.994 5.866 4.001 1.00 0.00 H new ATOM 0 HA LYS A 132 7.239 6.262 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.985 7.092 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 132 7.634 7.449 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.313 6.894 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.381 5.413 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.343 5.060 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 132 11.201 5.907 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.464 3.595 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.929 3.205 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.034 3.393 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 12.267 4.132 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 11.016 5.073 6.538 1.00 0.00 H new ATOM 721 N GLU A 133 7.757 3.278 2.764 1.00 0.00 N ATOM 722 CA GLU A 133 8.171 1.906 2.374 1.00 0.00 C ATOM 723 C GLU A 133 7.395 1.473 1.076 1.00 0.00 C ATOM 724 O GLU A 133 8.053 1.083 0.108 1.00 0.00 O ATOM 725 CB GLU A 133 7.992 0.971 3.602 1.00 0.00 C ATOM 726 CG GLU A 133 8.308 -0.539 3.393 1.00 0.00 C ATOM 727 CD GLU A 133 7.126 -1.487 3.172 1.00 0.00 C ATOM 728 OE1 GLU A 133 6.033 -1.051 2.748 1.00 0.00 O ATOM 729 OE2 GLU A 133 7.306 -2.694 3.430 1.00 0.00 O ATOM 0 H GLU A 133 7.314 3.334 3.681 1.00 0.00 H new ATOM 0 HA GLU A 133 9.225 1.850 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.628 1.342 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.961 1.057 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 133 8.974 -0.627 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 133 8.862 -0.890 4.264 1.00 0.00 H new ATOM 736 N ALA A 134 6.046 1.634 1.031 1.00 0.00 N ATOM 737 CA ALA A 134 5.253 1.271 -0.171 1.00 0.00 C ATOM 738 C ALA A 134 5.284 2.262 -1.397 1.00 0.00 C ATOM 739 O ALA A 134 5.143 1.804 -2.535 1.00 0.00 O ATOM 740 CB ALA A 134 3.837 0.924 0.283 1.00 0.00 C ATOM 0 H ALA A 134 5.493 2.007 1.802 1.00 0.00 H new ATOM 0 HA ALA A 134 5.753 0.408 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.233 0.653 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.873 0.084 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.393 1.786 0.780 1.00 0.00 H new ATOM 746 N ASP A 135 5.579 3.569 -1.223 1.00 0.00 N ATOM 747 CA ASP A 135 5.817 4.497 -2.353 1.00 0.00 C ATOM 748 C ASP A 135 7.358 4.410 -2.572 1.00 0.00 C ATOM 749 O ASP A 135 8.167 4.821 -1.732 1.00 0.00 O ATOM 750 CB ASP A 135 5.439 5.982 -2.127 1.00 0.00 C ATOM 751 CG ASP A 135 5.879 6.907 -3.307 1.00 0.00 C ATOM 752 OD1 ASP A 135 6.061 6.557 -4.458 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.932 8.174 -2.995 1.00 0.00 O ATOM 0 H ASP A 135 5.659 4.008 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 135 5.183 4.197 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.360 6.061 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.901 6.333 -1.205 1.00 0.00 H new ATOM 758 N GLU A 136 7.743 3.927 -3.746 1.00 0.00 N ATOM 759 CA GLU A 136 9.179 3.838 -4.138 1.00 0.00 C ATOM 760 C GLU A 136 9.962 5.215 -4.217 1.00 0.00 C ATOM 761 O GLU A 136 11.188 5.234 -4.089 1.00 0.00 O ATOM 762 CB GLU A 136 9.192 2.999 -5.440 1.00 0.00 C ATOM 763 CG GLU A 136 8.629 1.552 -5.247 1.00 0.00 C ATOM 764 CD GLU A 136 9.000 0.560 -6.337 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.100 -0.028 -6.261 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.186 0.353 -7.260 1.00 0.00 O ATOM 0 H GLU A 136 7.095 3.586 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 136 9.757 3.354 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.604 3.512 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.214 2.937 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.984 1.166 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.542 1.608 -5.184 1.00 0.00 H new ATOM 773 N ASP A 137 9.227 6.335 -4.389 1.00 0.00 N ATOM 774 CA ASP A 137 9.683 7.735 -4.462 1.00 0.00 C ATOM 775 C ASP A 137 9.775 8.006 -6.045 1.00 0.00 C ATOM 776 O ASP A 137 9.922 7.166 -6.946 1.00 0.00 O ATOM 777 CB ASP A 137 10.931 8.214 -3.704 1.00 0.00 C ATOM 778 CG ASP A 137 10.928 9.773 -3.498 1.00 0.00 C ATOM 779 OD1 ASP A 137 9.927 10.477 -3.870 1.00 0.00 O ATOM 780 OD2 ASP A 137 11.942 10.286 -2.981 1.00 0.00 O ATOM 0 H ASP A 137 8.214 6.275 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 137 8.968 8.334 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 137 10.979 7.719 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 137 11.825 7.922 -4.255 1.00 0.00 H new ATOM 785 N GLY A 138 9.746 9.290 -6.290 1.00 0.00 N ATOM 786 CA GLY A 138 9.677 10.045 -7.537 1.00 0.00 C ATOM 787 C GLY A 138 8.139 10.302 -7.693 1.00 0.00 C ATOM 788 O GLY A 138 7.707 10.311 -8.849 1.00 0.00 O ATOM 0 H GLY A 138 9.774 9.937 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.240 10.976 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.081 9.480 -8.377 1.00 0.00 H new ATOM 792 N ASN A 139 7.319 10.561 -6.590 1.00 0.00 N ATOM 793 CA ASN A 139 5.836 10.692 -6.737 1.00 0.00 C ATOM 794 C ASN A 139 5.069 11.132 -5.449 1.00 0.00 C ATOM 795 O ASN A 139 4.487 12.221 -5.450 1.00 0.00 O ATOM 796 CB ASN A 139 5.242 9.356 -7.310 1.00 0.00 C ATOM 797 CG ASN A 139 3.738 9.158 -7.576 1.00 0.00 C ATOM 798 OD1 ASN A 139 3.159 8.184 -7.104 1.00 0.00 O ATOM 799 ND2 ASN A 139 3.088 9.980 -8.383 1.00 0.00 N ATOM 0 H ASN A 139 7.662 10.676 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 139 5.683 11.515 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.751 9.170 -8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.543 8.564 -6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 139 2.110 9.803 -8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.565 10.791 -8.777 1.00 0.00 H new ATOM 806 N GLY A 140 5.049 10.308 -4.376 1.00 0.00 N ATOM 807 CA GLY A 140 4.238 10.589 -3.149 1.00 0.00 C ATOM 808 C GLY A 140 2.759 10.054 -3.211 1.00 0.00 C ATOM 809 O GLY A 140 1.887 10.520 -2.476 1.00 0.00 O ATOM 0 H GLY A 140 5.583 9.440 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.737 10.143 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.215 11.666 -2.982 1.00 0.00 H new ATOM 813 N VAL A 141 2.517 9.076 -4.103 1.00 0.00 N ATOM 814 CA VAL A 141 1.218 8.409 -4.406 1.00 0.00 C ATOM 815 C VAL A 141 1.607 6.940 -4.716 1.00 0.00 C ATOM 816 O VAL A 141 2.779 6.562 -4.892 1.00 0.00 O ATOM 817 CB VAL A 141 0.415 9.088 -5.594 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.077 8.983 -5.410 1.00 0.00 C ATOM 819 CG2 VAL A 141 0.628 10.609 -5.745 1.00 0.00 C ATOM 0 H VAL A 141 3.271 8.698 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 141 0.526 8.490 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 141 0.801 8.544 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -1.582 9.462 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.365 7.933 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -1.365 9.478 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 141 0.037 10.978 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 141 0.314 11.113 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 141 1.683 10.812 -5.928 1.00 0.00 H new ATOM 829 N ILE A 142 0.590 6.078 -4.781 1.00 0.00 N ATOM 830 CA ILE A 142 0.823 4.653 -5.032 1.00 0.00 C ATOM 831 C ILE A 142 -0.276 4.013 -5.881 1.00 0.00 C ATOM 832 O ILE A 142 -1.438 4.186 -5.559 1.00 0.00 O ATOM 833 CB ILE A 142 0.902 3.797 -3.715 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.420 4.458 -2.408 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.750 2.559 -4.008 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.760 3.495 -1.264 1.00 0.00 C ATOM 0 H ILE A 142 -0.390 6.336 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 142 1.779 4.642 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.144 3.597 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.311 5.040 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.665 5.161 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.822 1.946 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.285 1.980 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.749 2.867 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.111 4.063 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.870 2.930 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.541 2.807 -1.588 1.00 0.00 H new ATOM 848 N ASP A 143 0.116 3.246 -6.899 1.00 0.00 N ATOM 849 CA ASP A 143 -0.788 2.384 -7.674 1.00 0.00 C ATOM 850 C ASP A 143 -0.499 0.943 -7.148 1.00 0.00 C ATOM 851 O ASP A 143 0.583 0.639 -6.617 1.00 0.00 O ATOM 852 CB ASP A 143 -0.651 2.590 -9.193 1.00 0.00 C ATOM 853 CG ASP A 143 0.587 2.208 -9.958 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.487 1.570 -9.376 1.00 0.00 O ATOM 855 OD2 ASP A 143 0.612 2.409 -11.193 1.00 0.00 O ATOM 0 H ASP A 143 1.085 3.203 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.841 2.624 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.480 2.053 -9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.816 3.651 -9.379 1.00 0.00 H new ATOM 860 N ILE A 144 -1.464 0.017 -7.275 1.00 0.00 N ATOM 861 CA ILE A 144 -1.277 -1.373 -6.765 1.00 0.00 C ATOM 862 C ILE A 144 0.038 -2.050 -7.284 1.00 0.00 C ATOM 863 O ILE A 144 0.704 -2.633 -6.423 1.00 0.00 O ATOM 864 CB ILE A 144 -2.444 -2.375 -7.069 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.906 -1.879 -7.182 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.419 -3.612 -6.135 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.699 -2.665 -8.239 1.00 0.00 C ATOM 0 H ILE A 144 -2.368 0.189 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.239 -1.200 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.181 -2.606 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.398 -1.975 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.911 -0.820 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.247 -4.275 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.477 -4.145 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.516 -3.288 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.719 -2.285 -8.286 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.223 -2.548 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.717 -3.721 -7.969 1.00 0.00 H new ATOM 879 N PRO A 145 0.465 -2.001 -8.590 1.00 0.00 N ATOM 880 CA PRO A 145 1.728 -2.611 -9.032 1.00 0.00 C ATOM 881 C PRO A 145 3.012 -2.158 -8.288 1.00 0.00 C ATOM 882 O PRO A 145 3.929 -2.954 -8.349 1.00 0.00 O ATOM 883 CB PRO A 145 1.733 -2.417 -10.549 1.00 0.00 C ATOM 884 CG PRO A 145 0.262 -2.232 -10.925 1.00 0.00 C ATOM 885 CD PRO A 145 -0.279 -1.441 -9.738 1.00 0.00 C ATOM 0 HA PRO A 145 1.763 -3.667 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.326 -1.548 -10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.165 -3.279 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.147 -1.688 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -0.250 -3.187 -11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -0.099 -0.372 -9.851 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -1.355 -1.573 -9.623 1.00 0.00 H new ATOM 893 N GLU A 146 3.099 -0.990 -7.594 1.00 0.00 N ATOM 894 CA GLU A 146 4.276 -0.560 -6.796 1.00 0.00 C ATOM 895 C GLU A 146 4.412 -1.434 -5.507 1.00 0.00 C ATOM 896 O GLU A 146 5.462 -2.057 -5.335 1.00 0.00 O ATOM 897 CB GLU A 146 4.114 0.968 -6.584 1.00 0.00 C ATOM 898 CG GLU A 146 4.840 1.839 -7.643 1.00 0.00 C ATOM 899 CD GLU A 146 4.536 1.736 -9.134 1.00 0.00 C ATOM 900 OE1 GLU A 146 4.567 0.619 -9.688 1.00 0.00 O ATOM 901 OE2 GLU A 146 4.323 2.778 -9.791 1.00 0.00 O ATOM 0 H GLU A 146 2.338 -0.311 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 146 5.231 -0.721 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.052 1.214 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.492 1.228 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.672 2.878 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.907 1.646 -7.528 1.00 0.00 H new ATOM 908 N PHE A 147 3.380 -1.525 -4.626 1.00 0.00 N ATOM 909 CA PHE A 147 3.410 -2.420 -3.416 1.00 0.00 C ATOM 910 C PHE A 147 3.557 -3.954 -3.813 1.00 0.00 C ATOM 911 O PHE A 147 4.391 -4.733 -3.289 1.00 0.00 O ATOM 912 CB PHE A 147 2.189 -2.040 -2.532 1.00 0.00 C ATOM 913 CG PHE A 147 2.040 -2.790 -1.193 1.00 0.00 C ATOM 914 CD1 PHE A 147 3.106 -3.005 -0.310 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.786 -3.308 -0.876 1.00 0.00 C ATOM 916 CE1 PHE A 147 2.928 -3.807 0.821 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.594 -4.063 0.274 1.00 0.00 C ATOM 918 CZ PHE A 147 1.672 -4.350 1.099 1.00 0.00 C ATOM 0 H PHE A 147 2.514 -0.994 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 147 4.302 -2.264 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 147 2.243 -0.972 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.283 -2.203 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.067 -2.551 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.049 -3.120 -1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 147 3.761 -4.006 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.392 -4.426 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 147 1.540 -4.993 1.956 1.00 0.00 H new ATOM 928 N MET A 148 2.765 -4.367 -4.833 1.00 0.00 N ATOM 929 CA MET A 148 2.869 -5.723 -5.429 1.00 0.00 C ATOM 930 C MET A 148 4.331 -5.945 -5.927 1.00 0.00 C ATOM 931 O MET A 148 4.834 -7.003 -5.597 1.00 0.00 O ATOM 932 CB MET A 148 1.878 -5.983 -6.577 1.00 0.00 C ATOM 933 CG MET A 148 0.403 -6.155 -6.233 1.00 0.00 C ATOM 934 SD MET A 148 0.008 -7.925 -6.396 1.00 0.00 S ATOM 935 CE MET A 148 0.348 -8.576 -4.748 1.00 0.00 C ATOM 0 H MET A 148 2.048 -3.781 -5.260 1.00 0.00 H new ATOM 0 HA MET A 148 2.606 -6.434 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.961 -5.155 -7.282 1.00 0.00 H new ATOM 0 HB3 MET A 148 2.204 -6.881 -7.101 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.203 -5.809 -5.219 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.219 -5.560 -6.902 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.438 -9.661 -4.797 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.279 -8.151 -4.374 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.468 -8.310 -4.076 1.00 0.00 H new ATOM 945 N ASP A 149 5.016 -4.999 -6.635 1.00 0.00 N ATOM 946 CA ASP A 149 6.441 -5.101 -7.020 1.00 0.00 C ATOM 947 C ASP A 149 7.393 -5.048 -5.777 1.00 0.00 C ATOM 948 O ASP A 149 8.487 -5.612 -5.864 1.00 0.00 O ATOM 949 CB ASP A 149 6.717 -4.046 -8.100 1.00 0.00 C ATOM 950 CG ASP A 149 6.661 -4.540 -9.546 1.00 0.00 C ATOM 951 OD1 ASP A 149 5.812 -5.410 -9.869 1.00 0.00 O ATOM 952 OD2 ASP A 149 7.442 -4.032 -10.377 1.00 0.00 O ATOM 0 H ASP A 149 4.579 -4.135 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 149 6.658 -6.078 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 149 5.995 -3.238 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.704 -3.619 -7.920 1.00 0.00 H new ATOM 957 N LEU A 150 7.042 -4.401 -4.621 1.00 0.00 N ATOM 958 CA LEU A 150 7.825 -4.556 -3.346 1.00 0.00 C ATOM 959 C LEU A 150 7.950 -6.113 -3.087 1.00 0.00 C ATOM 960 O LEU A 150 9.041 -6.567 -2.731 1.00 0.00 O ATOM 961 CB LEU A 150 7.210 -3.875 -2.078 1.00 0.00 C ATOM 962 CG LEU A 150 7.732 -2.475 -1.686 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.121 -1.311 -2.491 1.00 0.00 C ATOM 964 CD2 LEU A 150 7.477 -2.218 -0.186 1.00 0.00 C ATOM 0 H LEU A 150 6.238 -3.778 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 150 8.778 -4.047 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 150 6.133 -3.801 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 150 7.369 -4.541 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 150 8.797 -2.493 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.546 -0.368 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 150 7.343 -1.445 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.041 -1.296 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 150 7.848 -1.229 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 150 6.407 -2.271 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 150 7.995 -2.972 0.406 1.00 0.00 H new ATOM 976 N ILE A 151 6.857 -6.904 -3.324 1.00 0.00 N ATOM 977 CA ILE A 151 6.940 -8.396 -3.243 1.00 0.00 C ATOM 978 C ILE A 151 7.546 -9.027 -4.597 1.00 0.00 C ATOM 979 O ILE A 151 8.661 -9.551 -4.642 1.00 0.00 O ATOM 980 CB ILE A 151 5.558 -9.045 -2.848 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.486 -8.225 -2.081 1.00 0.00 C ATOM 982 CG2 ILE A 151 5.744 -10.448 -2.226 1.00 0.00 C ATOM 983 CD1 ILE A 151 4.733 -7.780 -0.630 1.00 0.00 C ATOM 0 H ILE A 151 5.934 -6.544 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 151 7.635 -8.638 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 151 5.092 -9.094 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.291 -7.325 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 151 3.568 -8.813 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 151 4.770 -10.863 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.238 -11.102 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.356 -10.369 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 151 3.870 -7.220 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 151 4.885 -8.657 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 151 5.619 -7.147 -0.589 1.00 0.00 H new ATOM 995 N LYS A 152 6.736 -8.933 -5.664 1.00 0.00 N ATOM 996 CA LYS A 152 6.855 -9.389 -7.088 1.00 0.00 C ATOM 997 C LYS A 152 7.813 -8.686 -8.128 1.00 0.00 C ATOM 998 O LYS A 152 7.844 -9.166 -9.261 1.00 0.00 O ATOM 999 CB LYS A 152 5.370 -9.284 -7.576 1.00 0.00 C ATOM 1000 CG LYS A 152 4.928 -10.065 -8.839 1.00 0.00 C ATOM 1001 CD LYS A 152 3.569 -9.587 -9.408 1.00 0.00 C ATOM 1002 CE LYS A 152 3.623 -8.369 -10.361 1.00 0.00 C ATOM 1003 NZ LYS A 152 3.750 -7.050 -9.667 1.00 0.00 N ATOM 0 H LYS A 152 5.838 -8.464 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 152 7.354 -10.358 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 152 4.732 -9.605 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.157 -8.230 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 152 5.693 -9.962 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 152 4.860 -11.126 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 152 3.107 -10.419 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 152 2.914 -9.340 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 152 4.466 -8.491 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.720 -8.360 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 3.053 -6.384 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 3.577 -7.175 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.708 -6.673 -9.811 1.00 0.00 H new