USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.54) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 128 ASN : amide:sc= -0.908 K(o=-0.91,f=-1.8!) USER MOD Single : A 132 SER OG : rot 180:sc= -1.31 USER MOD Single : A 142 HIS : no HE2:sc= -8.28! C(o=-8.3!,f=-9.7!) USER MOD Single : A 143 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.3!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00683) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 11:sc= -0.28! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ -162:sc=-0.00507 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -0.754 15.506 -6.805 1.00 0.00 N ATOM 2 CA GLN A 126 -1.710 15.934 -7.858 1.00 0.00 C ATOM 3 C GLN A 126 -3.152 15.667 -7.437 1.00 0.00 C ATOM 4 O GLN A 126 -3.978 16.579 -7.405 1.00 0.00 O ATOM 5 CB GLN A 126 -1.388 15.173 -9.146 1.00 0.00 C ATOM 6 CG GLN A 126 -0.435 15.916 -10.069 1.00 0.00 C ATOM 7 CD GLN A 126 0.622 15.009 -10.669 1.00 0.00 C ATOM 8 OE1 GLN A 126 1.209 14.178 -9.976 1.00 0.00 O ATOM 9 NE2 GLN A 126 0.868 15.163 -11.965 1.00 0.00 N ATOM 0 HA GLN A 126 -1.608 17.007 -8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -0.953 14.207 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.316 14.972 -9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -1.004 16.385 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.052 16.717 -9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.357 15.865 -12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.567 14.580 -12.424 1.00 0.00 H new ATOM 20 N ASN A 127 -3.445 14.413 -7.112 1.00 0.00 N ATOM 21 CA ASN A 127 -4.786 14.026 -6.691 1.00 0.00 C ATOM 22 C ASN A 127 -4.728 12.995 -5.568 1.00 0.00 C ATOM 23 O ASN A 127 -3.901 12.083 -5.590 1.00 0.00 O ATOM 24 CB ASN A 127 -5.573 13.461 -7.876 1.00 0.00 C ATOM 25 CG ASN A 127 -7.072 13.540 -7.665 1.00 0.00 C ATOM 26 OD1 ASN A 127 -7.639 12.786 -6.873 1.00 0.00 O ATOM 27 ND2 ASN A 127 -7.723 14.454 -8.375 1.00 0.00 N ATOM 0 H ASN A 127 -2.772 13.647 -7.132 1.00 0.00 H new ATOM 0 HA ASN A 127 -5.293 14.916 -6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.307 14.009 -8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.286 12.422 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -8.733 14.552 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -7.213 15.058 -9.020 1.00 0.00 H new ATOM 34 N ASN A 128 -5.612 13.147 -4.587 1.00 0.00 N ATOM 35 CA ASN A 128 -5.662 12.229 -3.454 1.00 0.00 C ATOM 36 C ASN A 128 -5.960 10.808 -3.919 1.00 0.00 C ATOM 37 O ASN A 128 -7.114 10.380 -3.943 1.00 0.00 O ATOM 38 CB ASN A 128 -6.721 12.683 -2.450 1.00 0.00 C ATOM 39 CG ASN A 128 -6.740 11.822 -1.201 1.00 0.00 C ATOM 40 OD1 ASN A 128 -6.798 10.596 -1.280 1.00 0.00 O ATOM 41 ND2 ASN A 128 -6.692 12.465 -0.040 1.00 0.00 N ATOM 0 H ASN A 128 -6.303 13.896 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 128 -4.686 12.236 -2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -6.532 13.720 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -7.703 12.654 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -6.703 11.940 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -6.645 13.484 -0.023 1.00 0.00 H new ATOM 48 N ASP A 129 -4.912 10.078 -4.288 1.00 0.00 N ATOM 49 CA ASP A 129 -5.061 8.705 -4.752 1.00 0.00 C ATOM 50 C ASP A 129 -5.701 7.832 -3.677 1.00 0.00 C ATOM 51 O ASP A 129 -6.096 8.324 -2.619 1.00 0.00 O ATOM 52 CB ASP A 129 -3.700 8.130 -5.150 1.00 0.00 C ATOM 53 CG ASP A 129 -3.084 8.864 -6.325 1.00 0.00 C ATOM 54 OD1 ASP A 129 -2.568 9.983 -6.121 1.00 0.00 O ATOM 55 OD2 ASP A 129 -3.118 8.320 -7.449 1.00 0.00 O ATOM 0 H ASP A 129 -3.950 10.416 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.715 8.711 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.023 8.182 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.814 7.076 -5.403 1.00 0.00 H new ATOM 60 N ALA A 130 -5.802 6.536 -3.954 1.00 0.00 N ATOM 61 CA ALA A 130 -6.396 5.595 -3.011 1.00 0.00 C ATOM 62 C ALA A 130 -5.411 5.206 -1.906 1.00 0.00 C ATOM 63 O ALA A 130 -5.751 4.438 -1.007 1.00 0.00 O ATOM 64 CB ALA A 130 -6.882 4.354 -3.745 1.00 0.00 C ATOM 0 H ALA A 130 -5.480 6.113 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.245 6.088 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -7.323 3.659 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.630 4.638 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.041 3.875 -4.246 1.00 0.00 H new ATOM 70 N LEU A 131 -4.193 5.737 -1.978 1.00 0.00 N ATOM 71 CA LEU A 131 -3.172 5.438 -0.981 1.00 0.00 C ATOM 72 C LEU A 131 -3.317 6.346 0.236 1.00 0.00 C ATOM 73 O LEU A 131 -4.232 7.166 0.306 1.00 0.00 O ATOM 74 CB LEU A 131 -1.780 5.599 -1.590 1.00 0.00 C ATOM 75 CG LEU A 131 -1.268 4.385 -2.368 1.00 0.00 C ATOM 76 CD1 LEU A 131 -2.150 4.119 -3.580 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.177 4.599 -2.792 1.00 0.00 C ATOM 0 H LEU A 131 -3.891 6.375 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.304 4.406 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.790 6.461 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.074 5.823 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.309 3.512 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.772 3.252 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.171 3.924 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.140 4.990 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.527 3.727 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.243 5.482 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.798 4.742 -1.908 1.00 0.00 H new ATOM 89 N SER A 132 -2.405 6.194 1.192 1.00 0.00 N ATOM 90 CA SER A 132 -2.428 7.003 2.406 1.00 0.00 C ATOM 91 C SER A 132 -1.157 7.841 2.522 1.00 0.00 C ATOM 92 O SER A 132 -0.132 7.511 1.927 1.00 0.00 O ATOM 93 CB SER A 132 -2.578 6.107 3.636 1.00 0.00 C ATOM 94 OG SER A 132 -3.358 6.740 4.636 1.00 0.00 O ATOM 0 H SER A 132 -1.642 5.519 1.149 1.00 0.00 H new ATOM 0 HA SER A 132 -3.283 7.677 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.045 5.165 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.593 5.866 4.037 1.00 0.00 H new ATOM 0 HG SER A 132 -3.441 6.146 5.411 1.00 0.00 H new ATOM 100 N PRO A 133 -1.208 8.943 3.289 1.00 0.00 N ATOM 101 CA PRO A 133 -0.053 9.829 3.474 1.00 0.00 C ATOM 102 C PRO A 133 1.182 9.083 3.967 1.00 0.00 C ATOM 103 O PRO A 133 2.241 9.137 3.341 1.00 0.00 O ATOM 104 CB PRO A 133 -0.533 10.827 4.533 1.00 0.00 C ATOM 105 CG PRO A 133 -2.018 10.816 4.423 1.00 0.00 C ATOM 106 CD PRO A 133 -2.392 9.414 4.031 1.00 0.00 C ATOM 0 HA PRO A 133 0.253 10.295 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.208 10.531 5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.130 11.823 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.482 11.094 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.360 11.534 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.594 8.792 4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.289 9.395 3.412 1.00 0.00 H new ATOM 114 N ALA A 134 1.043 8.386 5.089 1.00 0.00 N ATOM 115 CA ALA A 134 2.150 7.631 5.659 1.00 0.00 C ATOM 116 C ALA A 134 2.577 6.499 4.730 1.00 0.00 C ATOM 117 O ALA A 134 3.768 6.308 4.463 1.00 0.00 O ATOM 118 CB ALA A 134 1.767 7.081 7.025 1.00 0.00 C ATOM 0 H ALA A 134 0.175 8.329 5.621 1.00 0.00 H new ATOM 0 HA ALA A 134 2.996 8.307 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.604 6.519 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.518 7.906 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.904 6.424 6.923 1.00 0.00 H new ATOM 124 N ILE A 135 1.600 5.748 4.234 1.00 0.00 N ATOM 125 CA ILE A 135 1.887 4.641 3.337 1.00 0.00 C ATOM 126 C ILE A 135 2.663 5.116 2.119 1.00 0.00 C ATOM 127 O ILE A 135 3.628 4.481 1.715 1.00 0.00 O ATOM 128 CB ILE A 135 0.607 3.926 2.864 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.192 3.417 4.065 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.963 2.777 1.925 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.518 2.793 3.688 1.00 0.00 C ATOM 0 H ILE A 135 0.610 5.886 4.437 1.00 0.00 H new ATOM 0 HA ILE A 135 2.488 3.933 3.907 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.013 4.637 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.406 2.682 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.371 4.246 4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.051 2.279 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.495 3.168 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.598 2.063 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.030 2.455 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.135 3.531 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.346 1.943 3.028 1.00 0.00 H new ATOM 143 N ARG A 136 2.244 6.237 1.538 1.00 0.00 N ATOM 144 CA ARG A 136 2.925 6.774 0.367 1.00 0.00 C ATOM 145 C ARG A 136 4.424 6.848 0.629 1.00 0.00 C ATOM 146 O ARG A 136 5.238 6.587 -0.257 1.00 0.00 O ATOM 147 CB ARG A 136 2.352 8.149 -0.001 1.00 0.00 C ATOM 148 CG ARG A 136 3.240 9.313 0.392 1.00 0.00 C ATOM 149 CD ARG A 136 2.607 10.647 0.031 1.00 0.00 C ATOM 150 NE ARG A 136 3.609 11.693 -0.163 1.00 0.00 N ATOM 151 CZ ARG A 136 4.208 12.340 0.834 1.00 0.00 C ATOM 152 NH1 ARG A 136 3.912 12.050 2.094 1.00 0.00 N ATOM 153 NH2 ARG A 136 5.107 13.278 0.570 1.00 0.00 N ATOM 0 H ARG A 136 1.445 6.785 1.856 1.00 0.00 H new ATOM 0 HA ARG A 136 2.760 6.110 -0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.180 8.183 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.381 8.267 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.432 9.279 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.204 9.220 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.019 10.535 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.918 10.947 0.820 1.00 0.00 H new ATOM 0 HE ARG A 136 3.864 11.942 -1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.222 11.328 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.374 12.549 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.340 13.504 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.566 13.774 1.334 1.00 0.00 H new ATOM 167 N ARG A 137 4.776 7.168 1.867 1.00 0.00 N ATOM 168 CA ARG A 137 6.170 7.236 2.262 1.00 0.00 C ATOM 169 C ARG A 137 6.745 5.829 2.301 1.00 0.00 C ATOM 170 O ARG A 137 7.872 5.589 1.868 1.00 0.00 O ATOM 171 CB ARG A 137 6.308 7.896 3.634 1.00 0.00 C ATOM 172 CG ARG A 137 7.726 8.345 3.956 1.00 0.00 C ATOM 173 CD ARG A 137 7.825 9.859 4.081 1.00 0.00 C ATOM 174 NE ARG A 137 8.266 10.269 5.412 1.00 0.00 N ATOM 175 CZ ARG A 137 7.501 10.207 6.499 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.255 9.756 6.417 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.982 10.598 7.671 1.00 0.00 N ATOM 0 H ARG A 137 4.114 7.384 2.612 1.00 0.00 H new ATOM 0 HA ARG A 137 6.718 7.838 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.643 8.759 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.975 7.195 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.051 7.881 4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.403 8.000 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.522 10.240 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.854 10.305 3.867 1.00 0.00 H new ATOM 0 HE ARG A 137 9.217 10.624 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 137 5.880 9.455 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.673 9.711 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 137 8.938 10.946 7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.396 10.551 8.504 1.00 0.00 H new ATOM 191 N LEU A 138 5.948 4.900 2.819 1.00 0.00 N ATOM 192 CA LEU A 138 6.362 3.505 2.911 1.00 0.00 C ATOM 193 C LEU A 138 6.603 2.913 1.522 1.00 0.00 C ATOM 194 O LEU A 138 7.672 2.368 1.250 1.00 0.00 O ATOM 195 CB LEU A 138 5.307 2.680 3.647 1.00 0.00 C ATOM 196 CG LEU A 138 5.670 1.207 3.831 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.893 1.071 4.723 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.499 0.430 4.412 1.00 0.00 C ATOM 0 H LEU A 138 5.013 5.088 3.181 1.00 0.00 H new ATOM 0 HA LEU A 138 7.296 3.471 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.136 3.124 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.367 2.744 3.099 1.00 0.00 H new ATOM 0 HG LEU A 138 5.904 0.788 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.139 0.016 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.736 1.590 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.682 1.509 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.781 -0.616 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.230 0.849 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.646 0.499 3.737 1.00 0.00 H new ATOM 210 N LEU A 139 5.610 3.033 0.641 1.00 0.00 N ATOM 211 CA LEU A 139 5.729 2.515 -0.716 1.00 0.00 C ATOM 212 C LEU A 139 6.891 3.189 -1.425 1.00 0.00 C ATOM 213 O LEU A 139 7.600 2.567 -2.219 1.00 0.00 O ATOM 214 CB LEU A 139 4.433 2.744 -1.495 1.00 0.00 C ATOM 215 CG LEU A 139 3.349 1.688 -1.274 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.972 2.271 -1.547 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.601 0.475 -2.156 1.00 0.00 C ATOM 0 H LEU A 139 4.718 3.483 0.845 1.00 0.00 H new ATOM 0 HA LEU A 139 5.915 1.442 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.030 3.719 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.669 2.784 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 139 3.385 1.369 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.214 1.505 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.792 3.109 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.922 2.618 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.821 -0.267 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.592 0.778 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.571 0.043 -1.912 1.00 0.00 H new ATOM 229 N ALA A 140 7.087 4.465 -1.117 1.00 0.00 N ATOM 230 CA ALA A 140 8.174 5.232 -1.706 1.00 0.00 C ATOM 231 C ALA A 140 9.518 4.678 -1.247 1.00 0.00 C ATOM 232 O ALA A 140 10.494 4.680 -1.998 1.00 0.00 O ATOM 233 CB ALA A 140 8.048 6.703 -1.335 1.00 0.00 C ATOM 0 H ALA A 140 6.507 4.989 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 140 8.115 5.145 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.869 7.263 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.099 7.091 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.086 6.809 -0.251 1.00 0.00 H new ATOM 239 N GLU A 141 9.555 4.196 -0.007 1.00 0.00 N ATOM 240 CA GLU A 141 10.768 3.627 0.559 1.00 0.00 C ATOM 241 C GLU A 141 11.041 2.252 -0.035 1.00 0.00 C ATOM 242 O GLU A 141 12.151 1.962 -0.482 1.00 0.00 O ATOM 243 CB GLU A 141 10.645 3.522 2.081 1.00 0.00 C ATOM 244 CG GLU A 141 10.507 4.868 2.775 1.00 0.00 C ATOM 245 CD GLU A 141 11.707 5.207 3.637 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.290 4.278 4.234 1.00 0.00 O ATOM 247 OE2 GLU A 141 12.063 6.401 3.716 1.00 0.00 O ATOM 0 H GLU A 141 8.754 4.190 0.624 1.00 0.00 H new ATOM 0 HA GLU A 141 11.602 4.285 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.780 2.906 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.523 3.009 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.372 5.647 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.610 4.863 3.394 1.00 0.00 H new ATOM 254 N HIS A 142 10.013 1.413 -0.042 1.00 0.00 N ATOM 255 CA HIS A 142 10.125 0.066 -0.590 1.00 0.00 C ATOM 256 C HIS A 142 10.258 0.110 -2.110 1.00 0.00 C ATOM 257 O HIS A 142 10.720 -0.849 -2.730 1.00 0.00 O ATOM 258 CB HIS A 142 8.902 -0.771 -0.203 1.00 0.00 C ATOM 259 CG HIS A 142 8.839 -1.116 1.253 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.393 -2.263 1.781 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.271 -0.463 2.294 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.166 -2.300 3.083 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.490 -1.220 3.419 1.00 0.00 N ATOM 0 H HIS A 142 9.090 1.642 0.326 1.00 0.00 H new ATOM 0 HA HIS A 142 11.020 -0.395 -0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.999 -0.225 -0.476 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.906 -1.693 -0.785 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.899 -2.972 1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.744 0.478 2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.481 -3.083 3.757 1.00 0.00 H new ATOM 272 N ASN A 143 9.841 1.226 -2.707 1.00 0.00 N ATOM 273 CA ASN A 143 9.906 1.392 -4.155 1.00 0.00 C ATOM 274 C ASN A 143 8.948 0.431 -4.849 1.00 0.00 C ATOM 275 O ASN A 143 9.352 -0.358 -5.704 1.00 0.00 O ATOM 276 CB ASN A 143 11.336 1.169 -4.657 1.00 0.00 C ATOM 277 CG ASN A 143 12.352 2.001 -3.899 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.031 2.623 -2.886 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.586 2.018 -4.387 1.00 0.00 N ATOM 0 H ASN A 143 9.455 2.028 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 143 9.607 2.412 -4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.591 0.114 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.388 1.415 -5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.312 2.561 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.809 1.488 -5.229 1.00 0.00 H new ATOM 286 N LEU A 144 7.676 0.500 -4.471 1.00 0.00 N ATOM 287 CA LEU A 144 6.658 -0.368 -5.055 1.00 0.00 C ATOM 288 C LEU A 144 5.526 0.445 -5.670 1.00 0.00 C ATOM 289 O LEU A 144 5.529 1.676 -5.622 1.00 0.00 O ATOM 290 CB LEU A 144 6.091 -1.314 -3.995 1.00 0.00 C ATOM 291 CG LEU A 144 7.105 -1.829 -2.977 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.405 -2.599 -1.868 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.146 -2.701 -3.661 1.00 0.00 C ATOM 0 H LEU A 144 7.325 1.146 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 144 7.134 -0.951 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.293 -0.799 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.638 -2.169 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 144 7.612 -0.974 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.144 -2.958 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.697 -1.944 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.871 -3.448 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.862 -3.061 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.655 -3.551 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.669 -2.117 -4.418 1.00 0.00 H new ATOM 305 N ASP A 145 4.558 -0.258 -6.245 1.00 0.00 N ATOM 306 CA ASP A 145 3.408 0.384 -6.871 1.00 0.00 C ATOM 307 C ASP A 145 2.107 -0.153 -6.285 1.00 0.00 C ATOM 308 O ASP A 145 1.959 -1.357 -6.078 1.00 0.00 O ATOM 309 CB ASP A 145 3.432 0.160 -8.384 1.00 0.00 C ATOM 310 CG ASP A 145 2.795 1.304 -9.148 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.510 2.279 -9.461 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.582 1.225 -9.434 1.00 0.00 O ATOM 0 H ASP A 145 4.547 -1.277 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 145 3.464 1.454 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.463 0.036 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.909 -0.767 -8.620 1.00 0.00 H new ATOM 317 N ALA A 146 1.168 0.747 -6.017 1.00 0.00 N ATOM 318 CA ALA A 146 -0.121 0.364 -5.452 1.00 0.00 C ATOM 319 C ALA A 146 -0.818 -0.677 -6.322 1.00 0.00 C ATOM 320 O ALA A 146 -1.402 -1.635 -5.815 1.00 0.00 O ATOM 321 CB ALA A 146 -1.005 1.589 -5.280 1.00 0.00 C ATOM 0 H ALA A 146 1.275 1.748 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 146 0.058 -0.083 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.964 1.289 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.519 2.297 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.167 2.060 -6.250 1.00 0.00 H new ATOM 327 N SER A 147 -0.755 -0.481 -7.635 1.00 0.00 N ATOM 328 CA SER A 147 -1.382 -1.401 -8.577 1.00 0.00 C ATOM 329 C SER A 147 -0.799 -2.808 -8.453 1.00 0.00 C ATOM 330 O SER A 147 -1.408 -3.781 -8.899 1.00 0.00 O ATOM 331 CB SER A 147 -1.209 -0.891 -10.008 1.00 0.00 C ATOM 332 OG SER A 147 -1.720 -1.820 -10.947 1.00 0.00 O ATOM 0 H SER A 147 -0.276 0.307 -8.071 1.00 0.00 H new ATOM 0 HA SER A 147 -2.444 -1.451 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.722 0.064 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.153 -0.711 -10.208 1.00 0.00 H new ATOM 0 HG SER A 147 -1.598 -1.469 -11.854 1.00 0.00 H new ATOM 338 N ALA A 148 0.384 -2.913 -7.852 1.00 0.00 N ATOM 339 CA ALA A 148 1.040 -4.203 -7.682 1.00 0.00 C ATOM 340 C ALA A 148 0.768 -4.795 -6.301 1.00 0.00 C ATOM 341 O ALA A 148 0.970 -5.989 -6.080 1.00 0.00 O ATOM 342 CB ALA A 148 2.538 -4.065 -7.910 1.00 0.00 C ATOM 0 H ALA A 148 0.905 -2.121 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 148 0.626 -4.887 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.017 -5.036 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.720 -3.703 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.952 -3.357 -7.192 1.00 0.00 H new ATOM 348 N ILE A 149 0.314 -3.958 -5.372 1.00 0.00 N ATOM 349 CA ILE A 149 0.023 -4.411 -4.016 1.00 0.00 C ATOM 350 C ILE A 149 -1.458 -4.246 -3.687 1.00 0.00 C ATOM 351 O ILE A 149 -2.151 -3.427 -4.290 1.00 0.00 O ATOM 352 CB ILE A 149 0.864 -3.647 -2.972 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.285 -3.417 -3.499 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.897 -4.410 -1.653 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.201 -2.739 -2.503 1.00 0.00 C ATOM 0 H ILE A 149 0.140 -2.966 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 149 0.284 -5.468 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 149 0.401 -2.676 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.718 -4.376 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.234 -2.811 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.494 -3.857 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.118 -4.526 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.339 -5.394 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.188 -2.610 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.792 -1.764 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.283 -3.354 -1.607 1.00 0.00 H new ATOM 367 N LYS A 150 -1.939 -5.034 -2.728 1.00 0.00 N ATOM 368 CA LYS A 150 -3.339 -4.980 -2.322 1.00 0.00 C ATOM 369 C LYS A 150 -3.745 -3.566 -1.917 1.00 0.00 C ATOM 370 O LYS A 150 -2.901 -2.744 -1.559 1.00 0.00 O ATOM 371 CB LYS A 150 -3.591 -5.951 -1.166 1.00 0.00 C ATOM 372 CG LYS A 150 -4.736 -6.918 -1.421 1.00 0.00 C ATOM 373 CD LYS A 150 -4.467 -8.277 -0.796 1.00 0.00 C ATOM 374 CE LYS A 150 -5.737 -8.889 -0.228 1.00 0.00 C ATOM 375 NZ LYS A 150 -6.740 -9.176 -1.290 1.00 0.00 N ATOM 0 H LYS A 150 -1.379 -5.717 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.948 -5.274 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.681 -6.520 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.804 -5.380 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.659 -6.506 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.884 -7.033 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.043 -8.946 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.725 -8.174 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.491 -9.812 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.170 -8.210 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -7.563 -9.654 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -7.045 -8.284 -1.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.314 -9.791 -2.013 1.00 0.00 H new ATOM 389 N GLY A 151 -5.044 -3.294 -1.975 1.00 0.00 N ATOM 390 CA GLY A 151 -5.552 -1.983 -1.614 1.00 0.00 C ATOM 391 C GLY A 151 -7.067 -1.954 -1.556 1.00 0.00 C ATOM 392 O GLY A 151 -7.726 -1.673 -2.556 1.00 0.00 O ATOM 0 H GLY A 151 -5.758 -3.962 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.147 -1.692 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.203 -1.247 -2.339 1.00 0.00 H new ATOM 396 N THR A 152 -7.620 -2.253 -0.384 1.00 0.00 N ATOM 397 CA THR A 152 -9.067 -2.265 -0.208 1.00 0.00 C ATOM 398 C THR A 152 -9.467 -1.692 1.149 1.00 0.00 C ATOM 399 O THR A 152 -10.283 -2.276 1.864 1.00 0.00 O ATOM 400 CB THR A 152 -9.605 -3.689 -0.353 1.00 0.00 C ATOM 401 OG1 THR A 152 -8.774 -4.611 0.330 1.00 0.00 O ATOM 402 CG2 THR A 152 -9.711 -4.145 -1.792 1.00 0.00 C ATOM 0 H THR A 152 -7.089 -2.489 0.455 1.00 0.00 H new ATOM 0 HA THR A 152 -9.503 -1.635 -0.983 1.00 0.00 H new ATOM 0 HB THR A 152 -10.606 -3.665 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.136 -5.516 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 152 -10.099 -5.163 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 152 -10.385 -3.483 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.725 -4.118 -2.256 1.00 0.00 H new ATOM 410 N GLY A 153 -8.897 -0.542 1.500 1.00 0.00 N ATOM 411 CA GLY A 153 -9.217 0.090 2.767 1.00 0.00 C ATOM 412 C GLY A 153 -10.710 0.251 2.970 1.00 0.00 C ATOM 413 O GLY A 153 -11.280 -0.286 3.920 1.00 0.00 O ATOM 0 H GLY A 153 -8.219 -0.037 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.804 -0.505 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.739 1.068 2.813 1.00 0.00 H new ATOM 417 N VAL A 154 -11.343 0.991 2.068 1.00 0.00 N ATOM 418 CA VAL A 154 -12.779 1.225 2.134 1.00 0.00 C ATOM 419 C VAL A 154 -13.417 1.046 0.761 1.00 0.00 C ATOM 420 O VAL A 154 -14.375 1.735 0.413 1.00 0.00 O ATOM 421 CB VAL A 154 -13.098 2.638 2.658 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.584 2.783 2.938 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.280 2.943 3.904 1.00 0.00 C ATOM 0 H VAL A 154 -10.881 1.441 1.278 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.192 0.493 2.828 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.827 3.360 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.788 3.788 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.146 2.613 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.886 2.052 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.519 3.945 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.516 2.216 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.218 2.886 3.665 1.00 0.00 H new ATOM 433 N GLY A 155 -12.871 0.117 -0.017 1.00 0.00 N ATOM 434 CA GLY A 155 -13.388 -0.140 -1.348 1.00 0.00 C ATOM 435 C GLY A 155 -12.374 0.178 -2.431 1.00 0.00 C ATOM 436 O GLY A 155 -12.743 0.525 -3.553 1.00 0.00 O ATOM 0 H GLY A 155 -12.077 -0.464 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.682 -1.187 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.286 0.456 -1.508 1.00 0.00 H new ATOM 440 N GLY A 156 -11.094 0.062 -2.091 1.00 0.00 N ATOM 441 CA GLY A 156 -10.041 0.345 -3.049 1.00 0.00 C ATOM 442 C GLY A 156 -9.026 1.336 -2.515 1.00 0.00 C ATOM 443 O GLY A 156 -8.824 2.402 -3.096 1.00 0.00 O ATOM 0 H GLY A 156 -10.767 -0.223 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.534 -0.583 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.482 0.739 -3.965 1.00 0.00 H new ATOM 447 N ARG A 157 -8.389 0.986 -1.401 1.00 0.00 N ATOM 448 CA ARG A 157 -7.392 1.856 -0.783 1.00 0.00 C ATOM 449 C ARG A 157 -6.204 1.050 -0.267 1.00 0.00 C ATOM 450 O ARG A 157 -6.368 -0.050 0.257 1.00 0.00 O ATOM 451 CB ARG A 157 -8.006 2.651 0.374 1.00 0.00 C ATOM 452 CG ARG A 157 -9.449 3.076 0.147 1.00 0.00 C ATOM 453 CD ARG A 157 -9.530 4.409 -0.578 1.00 0.00 C ATOM 454 NE ARG A 157 -10.899 4.740 -0.965 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.822 5.186 -0.116 1.00 0.00 C ATOM 456 NH1 ARG A 157 -11.528 5.354 1.167 1.00 0.00 N ATOM 457 NH2 ARG A 157 -13.043 5.465 -0.551 1.00 0.00 N ATOM 0 H ARG A 157 -8.545 0.107 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.044 2.548 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.956 2.048 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.401 3.541 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.967 2.313 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.963 3.150 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.135 5.196 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.900 4.377 -1.467 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.163 4.622 -1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.590 5.141 1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -12.240 5.696 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.275 5.338 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -13.750 5.807 0.099 1.00 0.00 H new ATOM 471 N LEU A 158 -5.010 1.614 -0.408 1.00 0.00 N ATOM 472 CA LEU A 158 -3.792 0.956 0.055 1.00 0.00 C ATOM 473 C LEU A 158 -3.644 1.116 1.565 1.00 0.00 C ATOM 474 O LEU A 158 -3.660 2.233 2.082 1.00 0.00 O ATOM 475 CB LEU A 158 -2.571 1.551 -0.654 1.00 0.00 C ATOM 476 CG LEU A 158 -1.377 0.606 -0.818 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.100 -0.148 0.473 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.620 -0.367 -1.961 1.00 0.00 C ATOM 0 H LEU A 158 -4.858 2.526 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.859 -0.106 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.878 1.895 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.243 2.430 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.499 1.207 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.248 -0.812 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.877 0.563 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.976 -0.736 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.761 -1.031 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.512 -0.957 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.761 0.189 -2.888 1.00 0.00 H new ATOM 490 N THR A 159 -3.507 -0.002 2.275 1.00 0.00 N ATOM 491 CA THR A 159 -3.364 0.035 3.727 1.00 0.00 C ATOM 492 C THR A 159 -2.104 -0.698 4.180 1.00 0.00 C ATOM 493 O THR A 159 -1.530 -1.492 3.432 1.00 0.00 O ATOM 494 CB THR A 159 -4.596 -0.580 4.398 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.257 -1.468 3.518 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.605 0.452 4.853 1.00 0.00 C ATOM 0 H THR A 159 -3.492 -0.938 1.871 1.00 0.00 H new ATOM 0 HA THR A 159 -3.276 1.079 4.026 1.00 0.00 H new ATOM 0 HB THR A 159 -4.216 -1.105 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.695 -1.627 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.453 -0.049 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.139 1.124 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.951 1.026 3.994 1.00 0.00 H new ATOM 504 N ARG A 160 -1.683 -0.430 5.415 1.00 0.00 N ATOM 505 CA ARG A 160 -0.494 -1.065 5.971 1.00 0.00 C ATOM 506 C ARG A 160 -0.618 -2.581 5.900 1.00 0.00 C ATOM 507 O ARG A 160 0.360 -3.284 5.649 1.00 0.00 O ATOM 508 CB ARG A 160 -0.283 -0.624 7.420 1.00 0.00 C ATOM 509 CG ARG A 160 -0.108 0.878 7.580 1.00 0.00 C ATOM 510 CD ARG A 160 1.333 1.244 7.904 1.00 0.00 C ATOM 511 NE ARG A 160 1.499 1.626 9.305 1.00 0.00 N ATOM 512 CZ ARG A 160 2.673 1.652 9.932 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.785 1.318 9.288 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.735 2.011 11.207 1.00 0.00 N ATOM 0 H ARG A 160 -2.148 0.222 6.047 1.00 0.00 H new ATOM 0 HA ARG A 160 0.369 -0.756 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.135 -0.948 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.596 -1.128 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.414 1.380 6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.763 1.238 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.981 0.397 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.651 2.067 7.264 1.00 0.00 H new ATOM 0 HE ARG A 160 0.667 1.888 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.743 1.040 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.682 1.340 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.883 2.267 11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.634 2.031 11.688 1.00 0.00 H new ATOM 528 N GLU A 161 -1.833 -3.075 6.105 1.00 0.00 N ATOM 529 CA GLU A 161 -2.094 -4.506 6.044 1.00 0.00 C ATOM 530 C GLU A 161 -1.788 -5.029 4.647 1.00 0.00 C ATOM 531 O GLU A 161 -1.275 -6.135 4.482 1.00 0.00 O ATOM 532 CB GLU A 161 -3.549 -4.802 6.411 1.00 0.00 C ATOM 533 CG GLU A 161 -3.747 -6.155 7.073 1.00 0.00 C ATOM 534 CD GLU A 161 -5.196 -6.423 7.431 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.935 -6.942 6.568 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.592 -6.113 8.574 1.00 0.00 O ATOM 0 H GLU A 161 -2.652 -2.505 6.315 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.448 -5.010 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.911 -4.023 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.159 -4.756 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.391 -6.938 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.138 -6.206 7.976 1.00 0.00 H new ATOM 543 N ASP A 162 -2.101 -4.213 3.643 1.00 0.00 N ATOM 544 CA ASP A 162 -1.856 -4.577 2.255 1.00 0.00 C ATOM 545 C ASP A 162 -0.359 -4.691 1.993 1.00 0.00 C ATOM 546 O ASP A 162 0.121 -5.717 1.508 1.00 0.00 O ATOM 547 CB ASP A 162 -2.479 -3.539 1.322 1.00 0.00 C ATOM 548 CG ASP A 162 -3.988 -3.485 1.447 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.606 -4.553 1.646 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.553 -2.377 1.346 1.00 0.00 O ATOM 0 H ASP A 162 -2.526 -3.294 3.768 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.317 -5.546 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.063 -2.557 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.210 -3.772 0.292 1.00 0.00 H new ATOM 555 N VAL A 163 0.378 -3.635 2.327 1.00 0.00 N ATOM 556 CA VAL A 163 1.824 -3.627 2.137 1.00 0.00 C ATOM 557 C VAL A 163 2.472 -4.754 2.932 1.00 0.00 C ATOM 558 O VAL A 163 3.475 -5.329 2.512 1.00 0.00 O ATOM 559 CB VAL A 163 2.447 -2.281 2.561 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.955 -2.288 2.343 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.799 -1.131 1.804 1.00 0.00 C ATOM 0 H VAL A 163 -0.001 -2.778 2.729 1.00 0.00 H new ATOM 0 HA VAL A 163 2.010 -3.773 1.073 1.00 0.00 H new ATOM 0 HB VAL A 163 2.261 -2.140 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.371 -1.328 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.405 -3.084 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.169 -2.456 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.251 -0.189 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.950 -1.269 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.731 -1.110 2.020 1.00 0.00 H new ATOM 571 N GLU A 164 1.883 -5.070 4.082 1.00 0.00 N ATOM 572 CA GLU A 164 2.394 -6.134 4.936 1.00 0.00 C ATOM 573 C GLU A 164 2.291 -7.479 4.227 1.00 0.00 C ATOM 574 O GLU A 164 3.238 -8.266 4.224 1.00 0.00 O ATOM 575 CB GLU A 164 1.623 -6.177 6.255 1.00 0.00 C ATOM 576 CG GLU A 164 2.140 -5.196 7.295 1.00 0.00 C ATOM 577 CD GLU A 164 1.476 -5.374 8.647 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.257 -5.121 8.748 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.175 -5.768 9.604 1.00 0.00 O ATOM 0 H GLU A 164 1.051 -4.603 4.443 1.00 0.00 H new ATOM 0 HA GLU A 164 3.443 -5.929 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.572 -5.965 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.674 -7.186 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.217 -5.322 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.972 -4.178 6.943 1.00 0.00 H new ATOM 586 N LYS A 165 1.137 -7.733 3.619 1.00 0.00 N ATOM 587 CA LYS A 165 0.913 -8.979 2.896 1.00 0.00 C ATOM 588 C LYS A 165 1.910 -9.116 1.752 1.00 0.00 C ATOM 589 O LYS A 165 2.512 -10.172 1.560 1.00 0.00 O ATOM 590 CB LYS A 165 -0.517 -9.032 2.356 1.00 0.00 C ATOM 591 CG LYS A 165 -1.564 -9.274 3.433 1.00 0.00 C ATOM 592 CD LYS A 165 -2.832 -8.477 3.169 1.00 0.00 C ATOM 593 CE LYS A 165 -3.964 -9.370 2.686 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.277 -8.961 3.256 1.00 0.00 N ATOM 0 H LYS A 165 0.343 -7.093 3.613 1.00 0.00 H new ATOM 0 HA LYS A 165 1.057 -9.809 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.740 -8.094 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.586 -9.823 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.804 -10.336 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.157 -8.999 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.136 -7.964 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.631 -7.708 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.014 -9.335 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.754 -10.403 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -6.022 -9.595 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.238 -9.018 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.490 -7.984 2.971 1.00 0.00 H new ATOM 608 N TRP A 166 2.087 -8.033 1.001 1.00 0.00 N ATOM 609 CA TRP A 166 3.021 -8.023 -0.118 1.00 0.00 C ATOM 610 C TRP A 166 4.451 -8.197 0.383 1.00 0.00 C ATOM 611 O TRP A 166 5.228 -8.973 -0.174 1.00 0.00 O ATOM 612 CB TRP A 166 2.895 -6.713 -0.902 1.00 0.00 C ATOM 613 CG TRP A 166 3.922 -6.557 -1.984 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.764 -6.816 -3.314 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.271 -6.104 -1.822 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.933 -6.555 -3.989 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.873 -6.118 -3.093 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.026 -5.689 -0.723 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.196 -5.735 -3.295 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.339 -5.308 -0.925 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.912 -5.333 -2.202 1.00 0.00 C ATOM 0 H TRP A 166 1.595 -7.151 1.148 1.00 0.00 H new ATOM 0 HA TRP A 166 2.778 -8.854 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.901 -6.660 -1.346 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.980 -5.876 -0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.853 -7.174 -3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.077 -6.668 -4.992 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.592 -5.666 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.640 -5.755 -4.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.933 -4.985 -0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.941 -5.028 -2.326 1.00 0.00 H new ATOM 632 N LEU A 167 4.788 -7.467 1.441 1.00 0.00 N ATOM 633 CA LEU A 167 6.122 -7.533 2.027 1.00 0.00 C ATOM 634 C LEU A 167 6.451 -8.952 2.476 1.00 0.00 C ATOM 635 O LEU A 167 7.600 -9.389 2.397 1.00 0.00 O ATOM 636 CB LEU A 167 6.228 -6.572 3.213 1.00 0.00 C ATOM 637 CG LEU A 167 6.555 -5.124 2.847 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.278 -4.198 4.022 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.003 -5.003 2.400 1.00 0.00 C ATOM 0 H LEU A 167 4.154 -6.821 1.911 1.00 0.00 H new ATOM 0 HA LEU A 167 6.842 -7.238 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.285 -6.588 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.996 -6.941 3.892 1.00 0.00 H new ATOM 0 HG LEU A 167 5.913 -4.825 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.517 -3.172 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.225 -4.263 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.893 -4.494 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.219 -3.966 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.661 -5.321 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.168 -5.635 1.527 1.00 0.00 H new ATOM 651 N ALA A 168 5.435 -9.667 2.947 1.00 0.00 N ATOM 652 CA ALA A 168 5.615 -11.038 3.408 1.00 0.00 C ATOM 653 C ALA A 168 5.540 -12.023 2.247 1.00 0.00 C ATOM 654 O ALA A 168 6.203 -13.060 2.254 1.00 0.00 O ATOM 655 CB ALA A 168 4.573 -11.380 4.462 1.00 0.00 C ATOM 0 H ALA A 168 4.479 -9.320 3.019 1.00 0.00 H new ATOM 0 HA ALA A 168 6.607 -11.118 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.719 -12.407 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.677 -10.703 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.576 -11.276 4.035 1.00 0.00 H new ATOM 661 N LYS A 169 4.728 -11.692 1.248 1.00 0.00 N ATOM 662 CA LYS A 169 4.566 -12.548 0.079 1.00 0.00 C ATOM 663 C LYS A 169 5.785 -12.457 -0.834 1.00 0.00 C ATOM 664 O LYS A 169 6.144 -13.426 -1.504 1.00 0.00 O ATOM 665 CB LYS A 169 3.304 -12.157 -0.695 1.00 0.00 C ATOM 666 CG LYS A 169 2.064 -12.922 -0.259 1.00 0.00 C ATOM 667 CD LYS A 169 0.971 -12.856 -1.314 1.00 0.00 C ATOM 668 CE LYS A 169 0.247 -14.185 -1.450 1.00 0.00 C ATOM 669 NZ LYS A 169 1.105 -15.222 -2.089 1.00 0.00 N ATOM 0 H LYS A 169 4.172 -10.837 1.225 1.00 0.00 H new ATOM 0 HA LYS A 169 4.468 -13.577 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.126 -11.089 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.472 -12.328 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.325 -13.963 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.692 -12.510 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 169 0.256 -12.076 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.407 -12.578 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.067 -14.530 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -0.658 -14.047 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.508 -15.998 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 1.627 -14.800 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.780 -15.593 -1.390 1.00 0.00 H new ATOM 683 N ALA A 170 6.415 -11.287 -0.857 1.00 0.00 N ATOM 684 CA ALA A 170 7.594 -11.071 -1.688 1.00 0.00 C ATOM 685 C ALA A 170 8.874 -11.280 -0.888 1.00 0.00 C ATOM 686 O ALA A 170 8.787 -11.379 0.354 1.00 0.00 O ATOM 687 CB ALA A 170 7.566 -9.673 -2.287 1.00 0.00 C ATOM 688 OXT ALA A 170 9.955 -11.345 -1.510 1.00 0.00 O ATOM 0 H ALA A 170 6.129 -10.475 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 170 7.579 -11.802 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.451 -9.524 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.672 -9.558 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.555 -8.934 -1.486 1.00 0.00 H new TER 694 ALA A 170